Screening compound: InChI=1S/C26H23ClF2N4OS/c27-21-4-3-5-22(29)20(21)16-33-24-7-2-1-6-23(24)30-26(33)35-17-25(34)32-14-12-31(13-15-32)19-10-8-18(28)9-11-19/h1-11H,12-17H2
Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C26H23ClF2N4OS/c27-21-4-3-5-22(29)20(21)16-33-24-7-2-1-6-23(24)30-26(33)35-17-25(34)32-14-12-31(13-15-32)19-10-8-18(28)9-11-19/h1-11H,12-17H2
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
C796-1296
Molecular Formula
C26H23ClF2N4OS (C26 H23 ClF2 N4 OS)
Compound Name
2-({1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
IUPAC name
2-({1-[(2-chloro-6-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
SMILES
O=C(CSc1nc(cccc2)c2n1Cc(c(F)ccc1)c1Cl)N(CC1)CCN1c(cc1)ccc1F
InChI Key
MDL Number (MFCD)
InChI=1S/C26H23ClF2N4OS/c27-21-4-3-5-22(29)20(21)16-33-24-7-2-1-6-23(24)30-26(33)35-17-25(34)32-14-12-31(13-15-32)19-10-8-18(28)9-11-19/h1-11H,12-17H2 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with InChI=1S/C26H23ClF2N4OS/c27-21-4-3-5-22(29)20(21)16-33-24-7-2-1-6-23(24)30-26(33)35-17-25(34)32-14-12-31(13-15-32)19-10-8-18(28)9-11-19/h1-11H,12-17H2 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)