C202-3587 Screening compound: 7-amino-5-(4-bromophenyl)-6-cyano-N-(4-ethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C202-3587 Screening compound: 7-amino-5-(4-bromophenyl)-6-cyano-N-(4-ethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
C202-3587 Screening compound: 7-amino-5-(4-bromophenyl)-6-cyano-N-(4-ethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3587
7-amino-5-(4-bromophenyl)-6-cyano-N-(4-ethylphenyl)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

C202-3587

Molecular Formula

C22H17BrN6O (C22 H17 BrN6 O)

Compound Name

7-amino-5-(4-bromophenyl)-6-cyano-N-(4-ethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

7-amino-5-(4-bromophenyl)-6-cyano-N-(4-ethylphenyl)pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

CCc(cc1)ccc1NC(c1c2nc(-c(cc3)ccc3Br)c(C#N)c(N)n2nc1)=O

InChI

InChI=1S/C22H17BrN6O/c1-2-13-3-9-16(10-4-13)27-22(30)18-12-26-29-20(25)17(11-24)19(28-21(18)29)14-5-7-15(23)8-6-14/h3-10,12H,2,25H2,1H3,(H,27,30)

InChI Key

VBKGCBMFDWROKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.59

Polar Surface Area

80.083

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C202-3587 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C202-3587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3587?
Check Price and Availability of C202-3587, 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 C202-3587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3587
  • 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 C202-3587 available by request