K061-0412 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

K061-0412 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
K061-0412 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0412
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-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

K061-0412

Molecular Formula

C21H14F3N5OS2 (C21 H14 F3 N5 OS2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(NC(c(cnn2c(C(F)(F)F)c3)c2nc3-c2cccs2)=O)sc2c1CCCC2

InChI

InChI=1S/C21H14F3N5OS2/c22-21(23,24)17-8-14(16-6-3-7-31-16)27-18-13(10-26-29(17)18)19(30)28-20-12(9-25)11-4-1-2-5-15(11)32-20/h3,6-8,10H,1-2,4-5H2,(H,28,30)

InChI Key

PKKXFMLJAUDGCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.5

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

5.175

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-5.24

Polar Surface Area

60.049

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

K061-0412 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K061-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0412?
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What is the minimum amount of K061-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0412
  • 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 K061-0412 available by request