4073-0164 Screening compound: 5-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole

4073-0164 Screening compound: 5-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
4073-0164 Screening compound: 5-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4073-0164
5-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-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

4073-0164

Molecular Formula

C15H9F3N4O2 (C15 H9 F3 N4 O2)

Compound Name

5-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole

IUPAC name

5-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-124-triazole

SMILES

[O-][N+](c1cccc(-c2ncnn2-c2cccc(C(F)(F)F)c2)c1)=O

InChI

InChI=1S/C15H9F3N4O2/c16-15(17,18)11-4-2-5-12(8-11)21-14(19-9-20-21)10-3-1-6-13(7-10)22(23)24/h1-9H

InChI Key

DZEJKUSPYRXSSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01308494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

4.257

Water Solubility, LogSw

-4.58

Polar Surface Area

58.212

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4073-0164 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 4073-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4073-0164?
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What is the minimum amount of 4073-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4073-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4073-0164
  • 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 4073-0164 available by request