V024-8176 Screening compound: 4-(3-chlorophenyl)-3-(4-methylphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V024-8176 Screening compound: 4-(3-chlorophenyl)-3-(4-methylphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V024-8176 Screening compound: 4-(3-chlorophenyl)-3-(4-methylphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-8176
4-(3-chlorophenyl)-3-(4-methylphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

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

V024-8176

Molecular Formula

C27H25ClN4OS (C27 H25 ClN4 OS)

Compound Name

4-(3-chlorophenyl)-3-(4-methylphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

IUPAC name

4-(3-chlorophenyl)-3-(4-methylphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-124-triazole

SMILES

Cc(cc1)ccc1-c(n1-c2cccc(Cl)c2)nnc1SCc(cc1)ccc1C(N1CCCC1)=O

InChI

InChI=1S/C27H25ClN4OS/c1-19-7-11-21(12-8-19)25-29-30-27(32(25)24-6-4-5-23(28)17-24)34-18-20-9-13-22(14-10-20)26(33)31-15-2-3-16-31/h4-14,17H,2-3,15-16,18H2,1H3

InChI Key

UDMOPBSYFYSWNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782629

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.769

Distribution Coefficient, logD

5.769

Water Solubility, LogSw

-5.91

Polar Surface Area

41.727

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with V024-8176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-8176?
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What is the minimum amount of V024-8176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-8176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-8176
  • 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 V024-8176 available by request