C796-1295 Screening compound: 2-({1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

C796-1295 Screening compound: 2-({1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
C796-1295 Screening compound: 2-({1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-1295
2-({1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

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

C796-1295

Molecular Formula

C26H24ClFN4OS (C26 H24 ClFN4 OS)

Compound Name

2-({1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-({1-[(3-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

SMILES

O=C(CSc1nc(cccc2)c2n1Cc1cccc(Cl)c1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C26H24ClFN4OS/c27-20-5-3-4-19(16-20)17-32-24-7-2-1-6-23(24)29-26(32)34-18-25(33)31-14-12-30(13-15-31)22-10-8-21(28)9-11-22/h1-11,16H,12-15,17-18H2

InChI Key

WWKSFTQVBHZPCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.900

Distribution Coefficient, logD

5.888

Water Solubility, LogSw

-6.05

Polar Surface Area

30.130

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C796-1295 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C796-1295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-1295?
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What is the minimum amount of C796-1295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-1295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-1295
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C796-1295 available by request