V024-9422 Screening compound: N-(3-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide

V024-9422 Screening compound: N-(3-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
V024-9422 Screening compound: N-(3-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-9422
N-(3-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide

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

V024-9422

Molecular Formula

C24H18F3N5O4 (C24 H18 F3 N5 O4)

Compound Name

N-(3-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide

IUPAC name

N-(3-{3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl}phenyl)-3-nitrobenzamide

SMILES

CCOc(nc1-c2ccc(C(F)(F)F)cc2)nn1-c1cc(NC(c2cc([N+]([O-])=O)ccc2)=O)ccc1

InChI

InChI=1S/C24H18F3N5O4/c1-2-36-23-29-21(15-9-11-17(12-10-15)24(25,26)27)31(30-23)19-7-4-6-18(14-19)28-22(33)16-5-3-8-20(13-16)32(34)35/h3-14H,2H2,1H3,(H,28,33)

InChI Key

MEYWIEOXIYJEIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782437

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.206

Distribution Coefficient, logD

6.205

Water Solubility, LogSw

-5.59

Polar Surface Area

87.286

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V024-9422 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V024-9422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-9422?
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What is the minimum amount of V024-9422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-9422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-9422
  • 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 V024-9422 available by request