D717-0089 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

D717-0089 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
D717-0089 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D717-0089
N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

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

D717-0089

Molecular Formula

C19H16ClF3N4O3 (C19 H16 ClF3 N4 O3)

Compound Name

N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

COc(c(NC(c1nn2c(C(F)(F)F)cc(C3CC3)nc2c1)=O)c1)cc(Cl)c1OC

InChI

InChI=1S/C19H16ClF3N4O3/c1-29-14-6-12(15(30-2)5-10(14)20)25-18(28)13-8-17-24-11(9-3-4-9)7-16(19(21,22)23)27(17)26-13/h5-9H,3-4H2,1-2H3,(H,25,28)

InChI Key

SOINLPPCOULWLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06630944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.556

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.66

Polar Surface Area

56.575

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D717-0089 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D717-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D717-0089?
Check Price and Availability of D717-0089, 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 D717-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D717-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D717-0089
  • 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 D717-0089 available by request