1187-2037 Screening compound: (2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide

1187-2037 Screening compound: (2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide
1187-2037 Screening compound: (2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-2037
(2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide

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

1187-2037

Molecular Formula

C25H19ClN4O3 (C25 H19 ClN4 O3)

Compound Name

(2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide

IUPAC name

(2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)prop-2-enamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(/C(/C#N)=C/c1ccc(-c2cccc(Cl)c2)o1)=O

InChI

InChI=1S/C25H19ClN4O3/c1-16-23(25(32)30(29(16)2)20-9-4-3-5-10-20)28-24(31)18(15-27)14-21-11-12-22(33-21)17-7-6-8-19(26)13-17/h3-14H,1-2H3,(H,28,31)

InChI Key

FBTGWBNHZGWBKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.881

Distribution Coefficient, logD

2.064

Water Solubility, LogSw

-4.34

Polar Surface Area

68.337

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

-11.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

1187-2037 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1187-2037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-2037?
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What is the minimum amount of 1187-2037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-2037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-2037
  • 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 1187-2037 available by request