V031-3405 Screening compound: 2-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine

V031-3405 Screening compound: 2-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
V031-3405 Screening compound: 2-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-3405
2-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine

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

V031-3405

Molecular Formula

C19H13F3N4OS (C19 H13 F3 N4 OS)

Compound Name

2-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine

IUPAC name

2-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-124-triazol-3-yl]sulfanyl}methyl)pyridine

SMILES

FC(c1cccc(-n2c(SCc3ncccc3)nnc2-c2ccco2)c1)(F)F

InChI

InChI=1S/C19H13F3N4OS/c20-19(21,22)13-5-3-7-15(11-13)26-17(16-8-4-10-27-16)24-25-18(26)28-12-14-6-1-2-9-23-14/h1-11H,12H2

InChI Key

WKNPCELVBKVVMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14442908

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

402.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

4.090

Water Solubility, LogSw

-4.41

Polar Surface Area

42.834

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

V031-3405 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V031-3405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-3405?
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What is the minimum amount of V031-3405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-3405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-3405
  • 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 V031-3405 available by request