8012-8883 Screening compound: 5-[(2-chlorobenzoyl)amino]-1-(2-chlorophenyl)-N~4~-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

8012-8883 Screening compound: 5-[(2-chlorobenzoyl)amino]-1-(2-chlorophenyl)-N~4~-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
8012-8883 Screening compound: 5-[(2-chlorobenzoyl)amino]-1-(2-chlorophenyl)-N~4~-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8883
5-[(2-chlorobenzoyl)amino]-1-(2-chlorophenyl)-N~4~-[3-(trifluoromethyl)phenyl]-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

8012-8883

Molecular Formula

C24H15Cl2F3N4O2 (C24 H15 Cl2 F3 N4 O2)

Compound Name

5-[(2-chlorobenzoyl)amino]-1-(2-chlorophenyl)-N~4~-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

IUPAC name

5-(2-chlorobenzamido)-1-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

SMILES

O=C(c1c(NC(c(cccc2)c2Cl)=O)n(-c(cccc2)c2Cl)nc1)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C24H15Cl2F3N4O2/c25-18-9-2-1-8-16(18)22(34)32-21-17(13-30-33(21)20-11-4-3-10-19(20)26)23(35)31-15-7-5-6-14(12-15)24(27,28)29/h1-13H,(H,31,35)(H,32,34)

InChI Key

PWPMEANMWNJMOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03134065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.274

Distribution Coefficient, logD

5.997

Water Solubility, LogSw

-6.23

Polar Surface Area

59.857

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.17

8012-8883 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-8883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8883?
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What is the minimum amount of 8012-8883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8883
  • 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 8012-8883 available by request