V005-7181 Screening compound: 3-benzyl-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazole

V005-7181 Screening compound: 3-benzyl-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazole
V005-7181 Screening compound: 3-benzyl-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7181
3-benzyl-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazole

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

V005-7181

Molecular Formula

C22H16Cl2FN3S (C22 H16 Cl2 FN3 S)

Compound Name

3-benzyl-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazole

IUPAC name

3-benzyl-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-124-triazole

SMILES

Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1-c1cc(Cl)ccc1

InChI

InChI=1S/C22H16Cl2FN3S/c23-16-8-4-9-17(13-16)28-21(12-15-6-2-1-3-7-15)26-27-22(28)29-14-18-19(24)10-5-11-20(18)25/h1-11,13H,12,14H2

InChI Key

XWWTYSWAALZDKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19778650

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

444.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.380

Distribution Coefficient, logD

6.380

Water Solubility, LogSw

-6.57

Polar Surface Area

25.689

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V005-7181 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 V005-7181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7181?
Check Price and Availability of V005-7181, 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 V005-7181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7181
  • 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 V005-7181 available by request