2002-0010 Screening compound: 3-(4-nitrophenyl)-4,5-diphenyl-4H-1,2,4-triazole

2002-0010 Screening compound: 3-(4-nitrophenyl)-4,5-diphenyl-4H-1,2,4-triazole
2002-0010 Screening compound: 3-(4-nitrophenyl)-4,5-diphenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2002-0010
3-(4-nitrophenyl)-4,5-diphenyl-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

2002-0010

Molecular Formula

C20H14N4O2 (C20 H14 N4 O2)

Compound Name

3-(4-nitrophenyl)-4,5-diphenyl-4H-1,2,4-triazole

IUPAC name

3-(4-nitrophenyl)-45-diphenyl-4H-124-triazole

SMILES

[O-][N+](c(cc1)ccc1-c1nnc(-c2ccccc2)n1-c1ccccc1)=O

InChI

InChI=1S/C20H14N4O2/c25-24(26)18-13-11-16(12-14-18)20-22-21-19(15-7-3-1-4-8-15)23(20)17-9-5-2-6-10-17/h1-14H

InChI Key

XHHJDYNMDKPNKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00187719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.36

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

4.722

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-5.03

Polar Surface Area

57.512

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2002-0010 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2002-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2002-0010?
Check Price and Availability of 2002-0010, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2002-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2002-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2002-0010
  • 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 2002-0010 available by request