E136-0498 Screening compound: N-(2,6-dimethylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide

E136-0498 Screening compound: N-(2,6-dimethylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
E136-0498 Screening compound: N-(2,6-dimethylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0498
N-(2,6-dimethylphenyl)-1,3-diphenyl-1H-pyrazole-4-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

E136-0498

Molecular Formula

C24H21N3O (C24 H21 N3 O)

Compound Name

N-(2,6-dimethylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide

IUPAC name

N-(26-dimethylphenyl)-13-diphenyl-1H-pyrazole-4-carboxamide

SMILES

Cc1cccc(C)c1NC(c1cn(-c2ccccc2)nc1-c1ccccc1)=O

InChI

InChI=1S/C24H21N3O/c1-17-10-9-11-18(2)22(17)25-24(28)21-16-27(20-14-7-4-8-15-20)26-23(21)19-12-5-3-6-13-19/h3-16H,1-2H3,(H,25,28)

InChI Key

PIRISAYGCSDIPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06338606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.547

Distribution Coefficient, logD

4.547

Water Solubility, LogSw

-4.37

Polar Surface Area

36.567

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

E136-0498 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E136-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0498?
Check Price and Availability of E136-0498, 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 E136-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0498
  • 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 E136-0498 available by request