V008-4972 Screening compound: 3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

V008-4972 Screening compound: 3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
V008-4972 Screening compound: 3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4972
3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

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

V008-4972

Molecular Formula

C23H17ClN4S (C23 H17 ClN4 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1cccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)c1

InChI

InChI=1S/C23H17ClN4S/c24-20-10-5-11-21(14-20)28-22(13-17-6-2-1-3-7-17)26-27-23(28)29-16-19-9-4-8-18(12-19)15-25/h1-12,14H,13,16H2

InChI Key

RPPTYDBICWBZPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772226

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.206

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-5.80

Polar Surface Area

42.745

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

V008-4972 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 V008-4972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4972?
Check Price and Availability of V008-4972, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-4972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4972
  • 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 V008-4972 available by request