K061-0021 Screening compound: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0021 Screening compound: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0021 Screening compound: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0021
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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

K061-0021

Molecular Formula

C28H17Cl2F3N4O3 (C28 H17 Cl2 F3 N4 O3)

Compound Name

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

COc(cc1)ccc1-c1nc2cc(C(Nc(ccc(Cl)c3)c3C(c(cccc3)c3Cl)=O)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C28H17Cl2F3N4O3/c1-40-17-9-6-15(7-10-17)22-13-24(28(31,32)33)37-25(34-22)14-23(36-37)27(39)35-21-11-8-16(29)12-19(21)26(38)18-4-2-3-5-20(18)30/h2-14H,1H3,(H,35,39)

InChI Key

WABCFNFJLRDVCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.546

Distribution Coefficient, logD

7.415

Water Solubility, LogSw

-6.31

Polar Surface Area

61.802

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

K061-0021 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K061-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0021?
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What is the minimum amount of K061-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0021
  • 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 K061-0021 available by request