D463-0131 Screening compound: 1-[3-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(pyridin-2-yl)piperazine

D463-0131 Screening compound: 1-[3-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(pyridin-2-yl)piperazine
D463-0131 Screening compound: 1-[3-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D463-0131
1-[3-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(pyridin-2-yl)piperazine

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

D463-0131

Molecular Formula

C23H20F4N6 (C23 H20 F4 N6)

Compound Name

1-[3-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(pyridin-2-yl)piperazine

IUPAC name

1-[3-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[15-a]pyrimidin-7-yl]-4-(pyridin-2-yl)piperazine

SMILES

Cc(cc(n1nc2C(F)(F)F)N(CC3)CCN3c3ncccc3)nc1c2-c(cc1)ccc1F

InChI

InChI=1S/C23H20F4N6/c1-15-14-19(32-12-10-31(11-13-32)18-4-2-3-9-28-18)33-22(29-15)20(21(30-33)23(25,26)27)16-5-7-17(24)8-6-16/h2-9,14H,10-13H2,1H3

InChI Key

HKAUNOVNVVFNAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20233820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.255

Distribution Coefficient, logD

5.156

Water Solubility, LogSw

-5.32

Polar Surface Area

34.822

Acid Dissociation Constant (pKa)

24.54

Base Dissociation Constant (pKb)

6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D463-0131 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D463-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D463-0131?
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What is the minimum amount of D463-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D463-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D463-0131
  • 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 D463-0131 available by request