K061-0097 Screening compound: 3-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0097 Screening compound: 3-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0097 Screening compound: 3-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0097
3-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-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

K061-0097

Molecular Formula

C21H17BrF3N5O2 (C21 H17 BrF3 N5 O2)

Compound Name

3-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

3-bromo-N-(5-tert-butyl-12-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

CC(C)(C)c1cc(NC(c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c2Br)=O)no1

InChI

InChI=1S/C21H17BrF3N5O2/c1-20(2,3)14-10-15(29-32-14)27-19(31)17-16(22)18-26-12(11-7-5-4-6-8-11)9-13(21(23,24)25)30(18)28-17/h4-10H,1-3H3,(H,27,29,31)

InChI Key

MQNOQLGDLXCZAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.201

Distribution Coefficient, logD

5.835

Water Solubility, LogSw

-5.54

Polar Surface Area

65.179

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

K061-0097 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K061-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0097?
Check Price and Availability of K061-0097, 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 K061-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0097
  • 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 K061-0097 available by request