V002-7628 Screening compound: 3-cyclohexyl-4-(2-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

V002-7628 Screening compound: 3-cyclohexyl-4-(2-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
V002-7628 Screening compound: 3-cyclohexyl-4-(2-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7628
3-cyclohexyl-4-(2-methylphenyl)-5-{[(2-methylphenyl)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

V002-7628

Molecular Formula

C23H27N3S (C23 H27 N3 S)

Compound Name

3-cyclohexyl-4-(2-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

IUPAC name

3-cyclohexyl-4-(2-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-124-triazole

SMILES

Cc1c(CSc2nnc(C3CCCCC3)n2-c2c(C)cccc2)cccc1

InChI

InChI=1S/C23H27N3S/c1-17-10-6-8-14-20(17)16-27-23-25-24-22(19-12-4-3-5-13-19)26(23)21-15-9-7-11-18(21)2/h6-11,14-15,19H,3-5,12-13,16H2,1-2H3

InChI Key

NPHCPALBPBTCAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843313

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

377.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.761

Distribution Coefficient, logD

6.760

Water Solubility, LogSw

-5.82

Polar Surface Area

24.604

Acid Dissociation Constant (pKa)

24.16

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

V002-7628 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-7628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7628?
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What is the minimum amount of V002-7628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7628
  • 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 V002-7628 available by request