C301-9403 Screening compound: N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylbenzamide

C301-9403 Screening compound: N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylbenzamide
C301-9403 Screening compound: N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9403
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylbenzamide

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

C301-9403

Molecular Formula

C23H19ClN4OS (C23 H19 ClN4 OS)

Compound Name

N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylbenzamide

IUPAC name

N-{2-[(1-benzyl-3-chloro-1H-124-triazol-5-yl)sulfanyl]phenyl}-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(cccc2)c2Sc2nc(Cl)nn2Cc2ccccc2)=O)c1

InChI

InChI=1S/C23H19ClN4OS/c1-16-8-7-11-18(14-16)21(29)25-19-12-5-6-13-20(19)30-23-26-22(24)27-28(23)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,25,29)

InChI Key

FUQAKYCJWSIERR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

5.426

Water Solubility, LogSw

-5.91

Polar Surface Area

46.462

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C301-9403 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-9403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9403?
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What is the minimum amount of C301-9403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9403
  • 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 C301-9403 available by request