D463-0312 Screening compound: N-cyclohexyl-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

D463-0312 Screening compound: N-cyclohexyl-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
D463-0312 Screening compound: N-cyclohexyl-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D463-0312
N-cyclohexyl-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

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

D463-0312

Molecular Formula

C21H23F3N4 (C21 H23 F3 N4)

Compound Name

N-cyclohexyl-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

IUPAC name

N-cyclohexyl-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[15-a]pyrimidin-7-amine

SMILES

Cc(cc1)ccc1-c1c2nc(C)cc(NC3CCCCC3)n2nc1C(F)(F)F

InChI

InChI=1S/C21H23F3N4/c1-13-8-10-15(11-9-13)18-19(21(22,23)24)27-28-17(12-14(2)25-20(18)28)26-16-6-4-3-5-7-16/h8-12,16,26H,3-7H2,1-2H3

InChI Key

SEKHGJDAFPOGDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.769

Distribution Coefficient, logD

5.746

Water Solubility, LogSw

-5.69

Polar Surface Area

30.821

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D463-0312 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D463-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D463-0312?
Check Price and Availability of D463-0312, 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 D463-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D463-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D463-0312
  • 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 D463-0312 available by request