7760-0031 Screening compound: 2-methyl-5-{4-[(4-methylphenyl)methoxy]phenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

7760-0031 Screening compound: 2-methyl-5-{4-[(4-methylphenyl)methoxy]phenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
7760-0031 Screening compound: 2-methyl-5-{4-[(4-methylphenyl)methoxy]phenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7760-0031
2-methyl-5-{4-[(4-methylphenyl)methoxy]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

7760-0031

Molecular Formula

C22H18F3N3O (C22 H18 F3 N3 O)

Compound Name

2-methyl-5-{4-[(4-methylphenyl)methoxy]phenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

IUPAC name

2-methyl-5-{4-[(4-methylphenyl)methoxy]phenyl}-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine

SMILES

Cc1nn2c(C(F)(F)F)cc(-c(cc3)ccc3OCc3ccc(C)cc3)nc2c1

InChI

InChI=1S/C22H18F3N3O/c1-14-3-5-16(6-4-14)13-29-18-9-7-17(8-10-18)19-12-20(22(23,24)25)28-21(26-19)11-15(2)27-28/h3-12H,13H2,1-2H3

InChI Key

KGNAXOZPLLIEDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07126191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.580

Distribution Coefficient, logD

5.580

Water Solubility, LogSw

-5.54

Polar Surface Area

25.432

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

7760-0031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7760-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7760-0031?
Check Price and Availability of 7760-0031, 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 7760-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7760-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7760-0031
  • 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 7760-0031 available by request