K061-0964 Screening compound: N-cyclohexyl-N-methyl-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0964 Screening compound: N-cyclohexyl-N-methyl-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0964 Screening compound: N-cyclohexyl-N-methyl-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0964
N-cyclohexyl-N-methyl-5-(4-nitrophenyl)-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

K061-0964

Molecular Formula

C21H20F3N5O3 (C21 H20 F3 N5 O3)

Compound Name

N-cyclohexyl-N-methyl-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-cyclohexyl-N-methyl-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

CN(C1CCCCC1)C(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3[N+]([O-])=O)nc2c1)=O

InChI

InChI=1S/C21H20F3N5O3/c1-27(14-5-3-2-4-6-14)20(30)17-12-19-25-16(11-18(21(22,23)24)28(19)26-17)13-7-9-15(10-8-13)29(31)32/h7-12,14H,2-6H2,1H3

InChI Key

ODJMXMMZICYQJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.924

Water Solubility, LogSw

-4.69

Polar Surface Area

66.981

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

K061-0964 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K061-0964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0964?
Check Price and Availability of K061-0964, 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 K061-0964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0964
  • 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 K061-0964 available by request