7591-0735 Screening compound: 4-[(5-CHLOROPYRIDIN-2-YL)AMINO]-2-METHYL-5-OXO-4-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE

7591-0735 Screening compound: 4-[(5-CHLOROPYRIDIN-2-YL)AMINO]-2-METHYL-5-OXO-4-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE
7591-0735 Screening compound: 4-[(5-CHLOROPYRIDIN-2-YL)AMINO]-2-METHYL-5-OXO-4-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0735
4-[(5-CHLOROPYRIDIN-2-YL)AMINO]-2-METHYL-5-OXO-4-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE

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

7591-0735

Molecular Formula

C12H8ClF3N4O (C12 H8 ClF3 N4 O)

Compound Name

4-[(5-CHLOROPYRIDIN-2-YL)AMINO]-2-METHYL-5-OXO-4-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE

IUPAC name

n/a

SMILES

CC(NC(C1(C(F)(F)F)Nc(cc2)ncc2Cl)=O)=C1C#N

InChI

InChI=1S/C12H8ClF3N4O/c1-6-8(4-17)11(10(21)19-6,12(14,15)16)20-9-3-2-7(13)5-18-9/h2-3,5H,1H3,(H,18,20)(H,19,21)/t11-/m0/s1

InChI Key

BMUWLHZLNFHEBV-NSHDSACASA-N

MDL Number (MFCD)

MFCD04167891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.901

Distribution Coefficient, logD

2.351

Water Solubility, LogSw

-3.45

Polar Surface Area

62.481

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

7591-0735 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 7591-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0735?
Check Price and Availability of 7591-0735, 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 7591-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0735
  • 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 7591-0735 available by request