V008-9162 Screening compound: 3-(4-fluorophenyl)-4-(prop-2-en-1-yl)-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole

V008-9162 Screening compound: 3-(4-fluorophenyl)-4-(prop-2-en-1-yl)-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole
V008-9162 Screening compound: 3-(4-fluorophenyl)-4-(prop-2-en-1-yl)-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9162
3-(4-fluorophenyl)-4-(prop-2-en-1-yl)-5-(prop-2-en-1-ylsulfanyl)-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

V008-9162

Molecular Formula

C14H14FN3S (C14 H14 FN3 S)

Compound Name

3-(4-fluorophenyl)-4-(prop-2-en-1-yl)-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole

IUPAC name

3-(4-fluorophenyl)-4-(prop-2-en-1-yl)-5-(prop-2-en-1-ylsulfanyl)-4H-124-triazole

SMILES

C=CCn1c(SCC=C)nnc1-c(cc1)ccc1F

InChI

InChI=1S/C14H14FN3S/c1-3-9-18-13(11-5-7-12(15)8-6-11)16-17-14(18)19-10-4-2/h3-8H,1-2,9-10H2

InChI Key

VWPFIDSJFPMDTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15188613

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

275.35

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

3.848

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-4.14

Polar Surface Area

24.491

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

V008-9162 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with V008-9162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9162?
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What is the minimum amount of V008-9162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9162
  • 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 V008-9162 available by request