K061-0901 Screening compound: 5-(4-bromophenyl)-3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0901 Screening compound: 5-(4-bromophenyl)-3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0901 Screening compound: 5-(4-bromophenyl)-3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0901
5-(4-bromophenyl)-3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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

K061-0901

Molecular Formula

C23H14BrClF3N5OS (C23 H14 BrClF3 N5 OS)

Compound Name

5-(4-bromophenyl)-3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

5-(4-bromophenyl)-3-chloro-N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

N#Cc1c(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4Br)nc3c2Cl)=O)sc2c1CCCC2

InChI

InChI=1S/C23H14BrClF3N5OS/c24-12-7-5-11(6-8-12)15-9-17(23(26,27)28)33-20(30-15)18(25)19(32-33)21(34)31-22-14(10-29)13-3-1-2-4-16(13)35-22/h5-9H,1-4H2,(H,31,34)

InChI Key

GNNJCWVXPRHVGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01528410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.074

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-6.96

Polar Surface Area

59.577

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K061-0901 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K061-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0901?
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What is the minimum amount of K061-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0901
  • 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 K061-0901 available by request