3209-0039 Screening compound: N-benzyl-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0039 Screening compound: N-benzyl-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0039 Screening compound: N-benzyl-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0039
N-benzyl-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-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

3209-0039

Molecular Formula

C21H19F3N4O (C21 H19 F3 N4 O)

Compound Name

N-benzyl-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-benzyl-5-phenyl-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn(C(CC(c2ccccc2)N2)C(F)(F)F)c2c1)NCc1ccccc1

InChI

InChI=1S/C21H19F3N4O/c22-21(23,24)18-11-16(15-9-5-2-6-10-15)26-19-12-17(27-28(18)19)20(29)25-13-14-7-3-1-4-8-14/h1-10,12,16,18,26H,11,13H2,(H,25,29)

InChI Key

HQARUNGABIRENK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01922272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.41

Polar Surface Area

52.180

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

3209-0039 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3209-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0039?
Check Price and Availability of 3209-0039, 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 3209-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0039
  • 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 3209-0039 available by request