V007-6013 Screening compound: benzyl 2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

V007-6013 Screening compound: benzyl 2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
V007-6013 Screening compound: benzyl 2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-6013
benzyl 2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-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

V007-6013

Molecular Formula

C23H17ClFN3O2S (C23 H17 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(-c(cccc2)c2Cl)n1-c(cccc1)c1F)OCc1ccccc1

InChI

InChI=1S/C23H17ClFN3O2S/c24-18-11-5-4-10-17(18)22-26-27-23(28(22)20-13-7-6-12-19(20)25)31-15-21(29)30-14-16-8-2-1-3-9-16/h1-13H,14-15H2

InChI Key

GIWXQYZGVGADPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844266

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

453.92

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

5.453

Distribution Coefficient, logD

5.453

Water Solubility, LogSw

-5.88

Polar Surface Area

44.946

Acid Dissociation Constant (pKa)

18.99

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with V007-6013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-6013?
Check Price and Availability of V007-6013, 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 V007-6013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-6013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-6013
  • 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 V007-6013 available by request