C301-9424 Screening compound: N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,5-dimethoxybenzamide

C301-9424 Screening compound: N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,5-dimethoxybenzamide
C301-9424 Screening compound: N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9424
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3,5-dimethoxybenzamide

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

C301-9424

Molecular Formula

C24H21ClN4O3S (C24 H21 ClN4 O3 S)

Compound Name

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

IUPAC name

N-{2-[(1-benzyl-3-chloro-1H-124-triazol-5-yl)sulfanyl]phenyl}-35-dimethoxybenzamide

SMILES

COc1cc(C(Nc(cccc2)c2Sc2nc(Cl)nn2Cc2ccccc2)=O)cc(OC)c1

InChI

InChI=1S/C24H21ClN4O3S/c1-31-18-12-17(13-19(14-18)32-2)22(30)26-20-10-6-7-11-21(20)33-24-27-23(25)28-29(24)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,26,30)

InChI Key

BQDXALNVBVCDAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.320

Distribution Coefficient, logD

5.320

Water Solubility, LogSw

-5.89

Polar Surface Area

61.550

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C301-9424 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 C301-9424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9424?
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What is the minimum amount of C301-9424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9424
  • 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 C301-9424 available by request