D393-0331 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-cyclohexylpiperazine

D393-0331 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-cyclohexylpiperazine
D393-0331 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-cyclohexylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D393-0331
1-[3-(2-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-cyclohexylpiperazine

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

D393-0331

Molecular Formula

C24H27ClF3N5 (C24 H27 ClF3 N5)

Compound Name

1-[3-(2-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-cyclohexylpiperazine

IUPAC name

1-[3-(2-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[15-a]pyrimidin-7-yl]-4-cyclohexylpiperazine

SMILES

Cc(cc(n1nc2C(F)(F)F)N(CC3)CCN3C3CCCCC3)nc1c2-c(cccc1)c1Cl

InChI

InChI=1S/C24H27ClF3N5/c1-16-15-20(32-13-11-31(12-14-32)17-7-3-2-4-8-17)33-23(29-16)21(22(30-33)24(26,27)28)18-9-5-6-10-19(18)25/h5-6,9-10,15,17H,2-4,7-8,11-14H2,1H3

InChI Key

VJXMLULPGRQFGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10478836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.895

Distribution Coefficient, logD

5.188

Water Solubility, LogSw

-6.29

Polar Surface Area

26.144

Acid Dissociation Constant (pKa)

26.05

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D393-0331 in Drug Discovery

Included in Screening Libraries

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

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 D393-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D393-0331?
Check Price and Availability of D393-0331, 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 D393-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D393-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D393-0331
  • 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 D393-0331 available by request