V009-1147 Screening compound: 3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole

V009-1147 Screening compound: 3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
V009-1147 Screening compound: 3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1147
3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-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

V009-1147

Molecular Formula

C22H18FN3OS (C22 H18 FN3 OS)

Compound Name

3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole

IUPAC name

3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-124-triazole

SMILES

COc(cc1)ccc1-n1c(SCc2ccccc2)nnc1-c(cccc1)c1F

InChI

InChI=1S/C22H18FN3OS/c1-27-18-13-11-17(12-14-18)26-21(19-9-5-6-10-20(19)23)24-25-22(26)28-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3

InChI Key

JDCWFVVRKHIEKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844739

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.866

Distribution Coefficient, logD

4.866

Water Solubility, LogSw

-4.74

Polar Surface Area

32.256

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V009-1147 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V009-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1147?
Check Price and Availability of V009-1147, 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 V009-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1147
  • 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 V009-1147 available by request