V024-8260 Screening compound: 4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide

V024-8260 Screening compound: 4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide
V024-8260 Screening compound: 4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-8260
4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)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

V024-8260

Molecular Formula

C32H30N4O3S (C32 H30 N4 O3 S)

Compound Name

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

IUPAC name

4-({[5-benzyl-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-(34-dimethoxyphenyl)benzamide

SMILES

Cc(cc1)ccc1-n1c(SCc(cc2)ccc2C(Nc(cc2)cc(OC)c2OC)=O)nnc1Cc1ccccc1

InChI

InChI=1S/C32H30N4O3S/c1-22-9-16-27(17-10-22)36-30(19-23-7-5-4-6-8-23)34-35-32(36)40-21-24-11-13-25(14-12-24)31(37)33-26-15-18-28(38-2)29(20-26)39-3/h4-18,20H,19,21H2,1-3H3,(H,33,37)

InChI Key

KDQNISMSLUAUPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785754

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

550.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.533

Water Solubility, LogSw

-5.46

Polar Surface Area

64.041

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

V024-8260 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 V024-8260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-8260?
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What is the minimum amount of V024-8260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-8260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-8260
  • 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 V024-8260 available by request