V010-1129 Screening compound: benzyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

V010-1129 Screening compound: benzyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
V010-1129 Screening compound: benzyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-1129
benzyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

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

V010-1129

Molecular Formula

C25H23N3O2S (C25 H23 N3 O2 S)

Compound Name

benzyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

IUPAC name

benzyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

Cc1cccc(-n2c(SCC(OCc3ccccc3)=O)nnc2Cc2ccccc2)c1

InChI

InChI=1S/C25H23N3O2S/c1-19-9-8-14-22(15-19)28-23(16-20-10-4-2-5-11-20)26-27-25(28)31-18-24(29)30-17-21-12-6-3-7-13-21/h2-15H,16-18H2,1H3

InChI Key

VODGCLFBNBUVOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844147

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.369

Distribution Coefficient, logD

5.369

Water Solubility, LogSw

-5.42

Polar Surface Area

46.223

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V010-1129 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V010-1129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-1129?
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What is the minimum amount of V010-1129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-1129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-1129
  • 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 V010-1129 available by request