8013-4426 Screening compound: 3-{1-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-2-yl}pyridine

8013-4426 Screening compound: 3-{1-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-2-yl}pyridine
8013-4426 Screening compound: 3-{1-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-2-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4426
3-{1-[7-(difluoromethyl)-5-phenylpyrazolo[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

8013-4426

Molecular Formula

C24H21F2N5O (C24 H21 F2 N5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cnn1c(C(F)F)c2)c1nc2-c1ccccc1)N(CCCC1)C1c1cnccc1

InChI

InChI=1S/C24H21F2N5O/c25-22(26)21-13-19(16-7-2-1-3-8-16)29-23-18(15-28-31(21)23)24(32)30-12-5-4-10-20(30)17-9-6-11-27-14-17/h1-3,6-9,11,13-15,20,22H,4-5,10,12H2/t20-/m0/s1

InChI Key

JFGHHLMKYGRKPG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03766607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

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

3.641

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-3.74

Polar Surface Area

44.756

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8013-4426 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8013-4426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4426?
Check Price and Availability of 8013-4426, 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 8013-4426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4426
  • 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 8013-4426 available by request