V008-4388 Screening compound: 3-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole

V008-4388 Screening compound: 3-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
V008-4388 Screening compound: 3-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4388
3-{[(2,5-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

V008-4388

Molecular Formula

C19H12F3N3OS (C19 H12 F3 N3 OS)

Compound Name

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

IUPAC name

3-{[(25-difluorophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-124-triazole

SMILES

Fc(cc1)ccc1-n1c(SCc(cc(cc2)F)c2F)nnc1-c1ccco1

InChI

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

InChI Key

MAPCYNMGRUQNAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775980

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

4.862

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.92

Polar Surface Area

33.291

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

V008-4388 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 V008-4388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4388?
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What is the minimum amount of V008-4388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4388
  • 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 V008-4388 available by request