K061-0494 Screening compound: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0494 Screening compound: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0494 Screening compound: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0494
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-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

K061-0494

Molecular Formula

C27H23ClF3N5OS (C27 H23 ClF3 N5 OS)

Compound Name

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

IUPAC name

N-(6-tert-butyl-3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C#N)c(NC(c1nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c1Cl)=O)s2

InChI

InChI=1S/C27H23ClF3N5OS/c1-26(2,3)15-9-10-16-17(13-32)25(38-19(16)11-15)34-24(37)22-21(28)23-33-18(14-7-5-4-6-8-14)12-20(27(29,30)31)36(23)35-22/h4-8,12,15H,9-11H2,1-3H3,(H,34,37)/t15-/m1/s1

InChI Key

LRGWZAAHTHDPGF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01540784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.693

Distribution Coefficient, logD

5.136

Water Solubility, LogSw

-6.71

Polar Surface Area

59.577

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K061-0494 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 K061-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0494?
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What is the minimum amount of K061-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0494
  • 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 K061-0494 available by request