V010-1383 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V010-1383 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V010-1383 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-1383
N-(2H-1,3-benzodioxol-5-yl)-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)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

V010-1383

Molecular Formula

C25H22N4O3S (C25 H22 N4 O3 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-({[5-methyl-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

Cc(n1-c2c(C)cccc2)nnc1SCc(cc1)ccc1C(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C25H22N4O3S/c1-16-5-3-4-6-21(16)29-17(2)27-28-25(29)33-14-18-7-9-19(10-8-18)24(30)26-20-11-12-22-23(13-20)32-15-31-22/h3-13H,14-15H2,1-2H3,(H,26,30)

InChI Key

WTEGWPSGGFXLLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785863

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-4.13

Polar Surface Area

65.667

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V010-1383 in Drug Discovery

Included in Screening Libraries

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

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V010-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-1383?
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What is the minimum amount of V010-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-1383
  • 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 V010-1383 available by request