V004-7451 Screening compound: methyl 2-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

V004-7451 Screening compound: methyl 2-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
V004-7451 Screening compound: methyl 2-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7451
methyl 2-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

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

V004-7451

Molecular Formula

C24H20ClN3O2S (C24 H20 ClN3 O2 S)

Compound Name

methyl 2-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

IUPAC name

methyl 2-({[5-benzyl-4-(3-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoate

SMILES

COC(c1c(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)cccc1)=O

InChI

InChI=1S/C24H20ClN3O2S/c1-30-23(29)21-13-6-5-10-18(21)16-31-24-27-26-22(14-17-8-3-2-4-9-17)28(24)20-12-7-11-19(25)15-20/h2-13,15H,14,16H2,1H3

InChI Key

MPZWTAQFGVEVSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27498991

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.661

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-5.85

Polar Surface Area

46.863

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V004-7451 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 V004-7451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7451?
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What is the minimum amount of V004-7451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7451
  • 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 V004-7451 available by request