7997-0002 Screening compound: 3-(3,4-dimethoxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

7997-0002 Screening compound: 3-(3,4-dimethoxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
7997-0002 Screening compound: 3-(3,4-dimethoxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7997-0002
3-(3,4-dimethoxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

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

7997-0002

Molecular Formula

C21H16F3N3O2 (C21 H16 F3 N3 O2)

Compound Name

3-(3,4-dimethoxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

IUPAC name

3-(34-dimethoxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine

SMILES

COc(ccc(-c(cnn1c(C(F)(F)F)c2)c1nc2-c1ccccc1)c1)c1OC

InChI

InChI=1S/C21H16F3N3O2/c1-28-17-9-8-14(10-18(17)29-2)15-12-25-27-19(21(22,23)24)11-16(26-20(15)27)13-6-4-3-5-7-13/h3-12H,1-2H3

InChI Key

ZMFJGPBJDRTDKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06135669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.099

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-4.93

Polar Surface Area

34.157

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

7997-0002 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7997-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7997-0002?
Check Price and Availability of 7997-0002, 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 7997-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7997-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7997-0002
  • 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 7997-0002 available by request