V016-7036 Screening compound: 3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

V016-7036 Screening compound: 3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
V016-7036 Screening compound: 3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7036
3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-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

V016-7036

Molecular Formula

C18H14F3N3S (C18 H14 F3 N3 S)

Compound Name

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

IUPAC name

3-{[(35-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

C=CCn1c(SCc2cc(F)cc(F)c2)nnc1-c(cccc1)c1F

InChI

InChI=1S/C18H14F3N3S/c1-2-7-24-17(15-5-3-4-6-16(15)21)22-23-18(24)25-11-12-8-13(19)10-14(20)9-12/h2-6,8-10H,1,7,11H2

InChI Key

MVWYKDAERINFIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843710

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

361.39

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

4.823

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-4.93

Polar Surface Area

24.219

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

V016-7036 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V016-7036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7036?
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What is the minimum amount of V016-7036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7036
  • 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 V016-7036 available by request