6466-0459 Screening compound: N-{4-chloro-2-[hydroxy(phenyl)methyl]phenyl}-7-(difluoromethyl)-5-(4-methylphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6466-0459 Screening compound: N-{4-chloro-2-[hydroxy(phenyl)methyl]phenyl}-7-(difluoromethyl)-5-(4-methylphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
6466-0459 Screening compound: N-{4-chloro-2-[hydroxy(phenyl)methyl]phenyl}-7-(difluoromethyl)-5-(4-methylphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0459
N-{4-chloro-2-[hydroxy(phenyl)methyl]phenyl}-7-(difluoromethyl)-5-(4-methylphenyl)-4H,5H,6H,7H-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

6466-0459

Molecular Formula

C28H25ClF2N4O2 (C28 H25 ClF2 N4 O2)

Compound Name

N-{4-chloro-2-[hydroxy(phenyl)methyl]phenyl}-7-(difluoromethyl)-5-(4-methylphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-{4-chloro-2-[hydroxy(phenyl)methyl]phenyl}-7-(difluoromethyl)-5-(4-methylphenyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

Cc1ccc(C(CC(C(F)F)n2nc3)Nc2c3C(Nc(cc2)c(C(c3ccccc3)O)cc2Cl)=O)cc1

InChI

InChI=1S/C28H25ClF2N4O2/c1-16-7-9-17(10-8-16)23-14-24(26(30)31)35-27(33-23)21(15-32-35)28(37)34-22-12-11-19(29)13-20(22)25(36)18-5-3-2-4-6-18/h2-13,15,23-26,33,36H,14H2,1H3,(H,34,37)

InChI Key

JYPGWHFQVRNEOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09468037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.311

Distribution Coefficient, logD

5.311

Water Solubility, LogSw

-5.78

Polar Surface Area

63.321

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.40

6466-0459 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6466-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0459?
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What is the minimum amount of 6466-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0459
  • 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 6466-0459 available by request