8013-4030 Screening compound: 3-{1-[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-2-yl}pyridine

8013-4030 Screening compound: 3-{1-[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-2-yl}pyridine
8013-4030 Screening compound: 3-{1-[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-2-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4030
3-{1-[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-2-yl}pyridine

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

8013-4030

Molecular Formula

C25H23F2N5O (C25 H23 F2 N5 O)

Compound Name

3-{1-[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-2-yl}pyridine

IUPAC name

3-{1-[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[15-a]pyrimidine-3-carbonyl]piperidin-2-yl}pyridine

SMILES

Cc(cc1)ccc1-c(cc(C(F)F)n1nc2)nc1c2C(N(CCCC1)C1c1cnccc1)=O

InChI

InChI=1S/C25H23F2N5O/c1-16-7-9-17(10-8-16)20-13-22(23(26)27)32-24(30-20)19(15-29-32)25(33)31-12-3-2-6-21(31)18-5-4-11-28-14-18/h4-5,7-11,13-15,21,23H,2-3,6,12H2,1H3/t21-/m0/s1

InChI Key

DJZIRNQKTPTATA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03766489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-3.96

Polar Surface Area

44.756

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

8013-4030 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 8013-4030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4030?
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What is the minimum amount of 8013-4030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4030
  • 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 8013-4030 available by request