V029-8330 Screening compound: N-benzyl-2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

V029-8330 Screening compound: N-benzyl-2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
V029-8330 Screening compound: N-benzyl-2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8330
N-benzyl-2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

V029-8330

Molecular Formula

C18H17ClN4OS (C18 H17 ClN4 OS)

Compound Name

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

IUPAC name

N-benzyl-2-{[4-(3-chlorophenyl)-5-methyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc(n1-c2cccc(Cl)c2)nnc1SCC(NCc1ccccc1)=O

InChI

InChI=1S/C18H17ClN4OS/c1-13-21-22-18(23(13)16-9-5-8-15(19)10-16)25-12-17(24)20-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,20,24)

InChI Key

YTXBTPWMXLPNFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02741063

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

372.88

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

2.929

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.52

Polar Surface Area

50.233

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V029-8330 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V029-8330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8330?
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What is the minimum amount of V029-8330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8330
  • 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 V029-8330 available by request