E238-0113 Screening compound: N-(4-chlorophenyl)-5,7-diphenyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

E238-0113 Screening compound: N-(4-chlorophenyl)-5,7-diphenyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
E238-0113 Screening compound: N-(4-chlorophenyl)-5,7-diphenyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E238-0113
N-(4-chlorophenyl)-5,7-diphenyl-4H,7H-pyrazolo[1,5-a]pyrimidine-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

E238-0113

Molecular Formula

C25H19ClN4O (C25 H19 ClN4 O)

Compound Name

N-(4-chlorophenyl)-5,7-diphenyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-(4-chlorophenyl)-57-diphenyl-4H7H-pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

O=C(c1c(NC(c2ccccc2)=CC2c3ccccc3)n2nc1)Nc(cc1)ccc1Cl

InChI

InChI=1S/C25H19ClN4O/c26-19-11-13-20(14-12-19)28-25(31)21-16-27-30-23(18-9-5-2-6-10-18)15-22(29-24(21)30)17-7-3-1-4-8-17/h1-16,23,29H,(H,28,31)/t23-/m0/s1

InChI Key

IYAGYYQRWFBHDH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14851906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.813

Distribution Coefficient, logD

5.812

Water Solubility, LogSw

-6.14

Polar Surface Area

47.865

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.00

E238-0113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Adenosine Receptors Targeted Library (19896 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E238-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E238-0113?
Check Price and Availability of E238-0113, 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 E238-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E238-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E238-0113
  • 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 E238-0113 available by request