V006-5933 Screening compound: 2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V006-5933 Screening compound: 2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V006-5933 Screening compound: 2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5933
2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

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

V006-5933

Molecular Formula

C21H16ClN5OS (C21 H16 ClN5 OS)

Compound Name

2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

NC(c1c(CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2)cccc1)=O

InChI

InChI=1S/C21H16ClN5OS/c22-16-5-3-6-17(12-16)27-20(14-8-10-24-11-9-14)25-26-21(27)29-13-15-4-1-2-7-18(15)19(23)28/h1-12H,13H2,(H2,23,28)

InChI Key

WGDJGIOHKGUYQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27499797

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

421.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.494

Water Solubility, LogSw

-4.06

Polar Surface Area

68.200

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

V006-5933 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V006-5933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5933?
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What is the minimum amount of V006-5933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5933
  • 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 V006-5933 available by request