V030-7545 Screening compound: 4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

V030-7545 Screening compound: 4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
V030-7545 Screening compound: 4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7545
4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-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

V030-7545

Molecular Formula

C21H18ClN3OS (C21 H18 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CSc2nnc(-c3ccco3)n2-c2c(C)ccc(Cl)c2)c1

InChI

InChI=1S/C21H18ClN3OS/c1-14-5-3-6-16(11-14)13-27-21-24-23-20(19-7-4-10-26-19)25(21)18-12-17(22)9-8-15(18)2/h3-12H,13H2,1-2H3

InChI Key

YWCIJSQRFUVHOO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.043

Distribution Coefficient, logD

6.043

Water Solubility, LogSw

-6.16

Polar Surface Area

32.990

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with V030-7545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7545?
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What is the minimum amount of V030-7545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7545
  • 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 V030-7545 available by request