D393-0328 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]azepane

D393-0328 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]azepane
D393-0328 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound D393-0328
1-[3-(2-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]azepane

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

D393-0328

Molecular Formula

C20H20ClF3N4 (C20 H20 ClF3 N4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(n1nc2C(F)(F)F)N3CCCCCC3)nc1c2-c(cccc1)c1Cl

InChI

InChI=1S/C20H20ClF3N4/c1-13-12-16(27-10-6-2-3-7-11-27)28-19(25-13)17(18(26-28)20(22,23)24)14-8-4-5-9-15(14)21/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3

InChI Key

IZMWUCPHRBBAPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10478834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.734

Distribution Coefficient, logD

5.634

Water Solubility, LogSw

-6.26

Polar Surface Area

23.382

Acid Dissociation Constant (pKa)

26.14

Base Dissociation Constant (pKb)

6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D393-0328 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D393-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D393-0328?
Check Price and Availability of D393-0328, 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 D393-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D393-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D393-0328
  • 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 D393-0328 available by request