K061-0162 Screening compound: N,N-dibenzyl-3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0162 Screening compound: N,N-dibenzyl-3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0162 Screening compound: N,N-dibenzyl-3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0162
N,N-dibenzyl-3-chloro-5-phenyl-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

K061-0162

Molecular Formula

C28H20ClF3N4O (C28 H20 ClF3 N4 O)

Compound Name

N,N-dibenzyl-3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

NN-dibenzyl-3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl)N(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C28H20ClF3N4O/c29-24-25(27(37)35(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20)34-36-23(28(30,31)32)16-22(33-26(24)36)21-14-8-3-9-15-21/h1-16H,17-18H2

InChI Key

VQMFAUGVOFPMBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.604

Distribution Coefficient, logD

6.604

Water Solubility, LogSw

-6.62

Polar Surface Area

35.654

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

K061-0162 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K061-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0162?
Check Price and Availability of K061-0162, 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 K061-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0162
  • 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 K061-0162 available by request