C301-9435 Screening compound: N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-chlorobenzamide

C301-9435 Screening compound: N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-chlorobenzamide
C301-9435 Screening compound: N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9435
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-chlorobenzamide

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

C301-9435

Molecular Formula

C22H16Cl2N4OS (C22 H16 Cl2 N4 OS)

Compound Name

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

IUPAC name

N-{2-[(1-benzyl-3-chloro-1H-124-triazol-5-yl)sulfanyl]phenyl}-4-chlorobenzamide

SMILES

O=C(c(cc1)ccc1Cl)Nc(cccc1)c1Sc1nc(Cl)nn1Cc1ccccc1

InChI

InChI=1S/C22H16Cl2N4OS/c23-17-12-10-16(11-13-17)20(29)25-18-8-4-5-9-19(18)30-22-26-21(24)27-28(22)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,29)

InChI Key

YEHDOSFTFOOCIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.37

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

5.650

Distribution Coefficient, logD

5.650

Water Solubility, LogSw

-6.05

Polar Surface Area

46.462

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C301-9435 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 C301-9435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9435?
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What is the minimum amount of C301-9435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9435
  • 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 C301-9435 available by request