K061-0959 Screening compound: 5-(4-nitrophenyl)-N-[(thiophen-2-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0959 Screening compound: 5-(4-nitrophenyl)-N-[(thiophen-2-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0959 Screening compound: 5-(4-nitrophenyl)-N-[(thiophen-2-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0959
5-(4-nitrophenyl)-N-[(thiophen-2-yl)methyl]-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

K061-0959

Molecular Formula

C19H12F3N5O3S (C19 H12 F3 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1-c1nc2cc(C(NCc3cccs3)=O)nn2c(C(F)(F)F)c1)=O

InChI

InChI=1S/C19H12F3N5O3S/c20-19(21,22)16-8-14(11-3-5-12(6-4-11)27(29)30)24-17-9-15(25-26(16)17)18(28)23-10-13-2-1-7-31-13/h1-9H,10H2,(H,23,28)

InChI Key

OOGUNRWBXHFDKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.653

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.81

Polar Surface Area

77.211

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

K061-0959 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 K061-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0959?
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What is the minimum amount of K061-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0959
  • 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 K061-0959 available by request