V002-9815 Screening compound: 3-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole

V002-9815 Screening compound: 3-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
V002-9815 Screening compound: 3-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9815
3-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-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

V002-9815

Molecular Formula

C19H12F3N3OS (C19 H12 F3 N3 OS)

Compound Name

3-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole

IUPAC name

3-{[(35-difluorophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-124-triazole

SMILES

Fc(cc1)ccc1-n1c(SCc2cc(F)cc(F)c2)nnc1-c1ccco1

InChI

InChI=1S/C19H12F3N3OS/c20-13-3-5-16(6-4-13)25-18(17-2-1-7-26-17)23-24-19(25)27-11-12-8-14(21)10-15(22)9-12/h1-10H,11H2

InChI Key

DBDBICHCLBLCOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844364

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.776

Water Solubility, LogSw

-4.85

Polar Surface Area

33.291

Acid Dissociation Constant (pKa)

23.74

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

V002-9815 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V002-9815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9815?
Check Price and Availability of V002-9815, 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 V002-9815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9815
  • 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 V002-9815 available by request