V031-2927 Screening compound: 5-(furan-2-yl)-1-(4-methylphenyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazole-3-carboxamide

V031-2927 Screening compound: 5-(furan-2-yl)-1-(4-methylphenyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazole-3-carboxamide
V031-2927 Screening compound: 5-(furan-2-yl)-1-(4-methylphenyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2927
5-(furan-2-yl)-1-(4-methylphenyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazole-3-carboxamide

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

V031-2927

Molecular Formula

C22H17F3N4O2 (C22 H17 F3 N4 O2)

Compound Name

5-(furan-2-yl)-1-(4-methylphenyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazole-3-carboxamide

IUPAC name

5-(furan-2-yl)-1-(4-methylphenyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-124-triazole-3-carboxamide

SMILES

Cc(cc1)ccc1-n1nc(C(NCc2cccc(C(F)(F)F)c2)=O)nc1-c1ccco1

InChI

InChI=1S/C22H17F3N4O2/c1-14-7-9-17(10-8-14)29-20(18-6-3-11-31-18)27-19(28-29)21(30)26-13-15-4-2-5-16(12-15)22(23,24)25/h2-12H,13H2,1H3,(H,26,30)

InChI Key

OWTPSMSDMRCNSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14287449

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

426.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.687

Water Solubility, LogSw

-4.48

Polar Surface Area

56.881

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with V031-2927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2927?
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What is the minimum amount of V031-2927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2927
  • 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 V031-2927 available by request