Vol.:(0123456789) Research on Chemical Intermediates https://doi.org/10.1007/s11164-020-04134-7 1 3 Design, in silico, one‑pot synthesis, and biological evaluations of novel bis‑urea analogs Sajede Shoja, et al. [full author details at the end of the article] Received: 5 December 2019 / Accepted: 19 March 2020 © Springer Nature B.V. 2020 Abstract The structure of urea has received special attention due to its biological activity. A new and eﬃcient one-pot three-component reaction for the synthesis of bis-urea compounds from a variety of substituted diamino derivatives and isocyanate deriva- tives at room temperature with suitable yield is reported. Seven novel bis-urea deriv- atives were designed, synthesized, isolated, puriﬁed, and characterized (3a–g) with a variety of aromatic and aliphatic linkers. All compounds were evaluated for their cytotoxic and antibacterial properties. Most of the synthesized compounds exhibited reasonable activity compared to the positive control group. Graphic abstract Development of a novel one-pot three-component reaction (3-CR) for the prepara- tion of bis-urea scaﬀolds based on in silico studies was done. Evaluations of cyto- toxic and antibacterial activities of all compounds were done. Most of the com- pounds exhibited good activities. Keywords Synthesis · Design · Sorafenib · Cytotoxicity · Antibacterial · One-pot Electronic supplementary material The online version of this article (https://doi.org/10.1007/s1116 4-020-04134-7) contains supplementary material, which is available to authorized users.