V029-9920 Screening compound: 4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide

V029-9920 Screening compound: 4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide
V029-9920 Screening compound: 4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9920
4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)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

V029-9920

Molecular Formula

C28H22ClN5OS (C28 H22 ClN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(c2ccc(CSc3nnc(-c4ccncc4)n3-c3cccc(Cl)c3)cc2)=O)c1

InChI

InChI=1S/C28H22ClN5OS/c1-19-4-2-6-24(16-19)31-27(35)22-10-8-20(9-11-22)18-36-28-33-32-26(21-12-14-30-15-13-21)34(28)25-7-3-5-23(29)17-25/h2-17H,18H2,1H3,(H,31,35)

InChI Key

JSTVGSQCPASCRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497932

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.663

Distribution Coefficient, logD

5.663

Water Solubility, LogSw

-5.89

Polar Surface Area

57.232

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with V029-9920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9920?
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What is the minimum amount of V029-9920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9920
  • 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 V029-9920 available by request