D717-0091 Screening compound: 5-cyclopropyl-N~2~-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

D717-0091 Screening compound: 5-cyclopropyl-N~2~-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
D717-0091 Screening compound: 5-cyclopropyl-N~2~-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D717-0091
5-cyclopropyl-N~2~-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-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

D717-0091

Molecular Formula

C21H17F3N6O (C21 H17 F3 N6 O)

Compound Name

5-cyclopropyl-N~2~-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

5-cyclopropyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc(cc1NC(c2nn3c(C(F)(F)F)cc(C4CC4)nc3c2)=O)nn1-c1ccccc1

InChI

InChI=1S/C21H17F3N6O/c1-12-9-18(29(27-12)14-5-3-2-4-6-14)26-20(31)16-11-19-25-15(13-7-8-13)10-17(21(22,23)24)30(19)28-16/h2-6,9-11,13H,7-8H2,1H3,(H,26,31)

InChI Key

UNHSDPGWGTVBAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06630530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.098

Distribution Coefficient, logD

4.098

Water Solubility, LogSw

-4.17

Polar Surface Area

56.253

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

D717-0091 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D717-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D717-0091?
Check Price and Availability of D717-0091, 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 D717-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D717-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D717-0091
  • 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 D717-0091 available by request