K061-0512 Screening compound: 3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0512 Screening compound: 3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0512 Screening compound: 3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0512
3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-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

K061-0512

Molecular Formula

C24H17BrF3N5OS (C24 H17 BrF3 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)Cc2c1c(C#N)c(NC(c1nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c1Br)=O)s2

InChI

InChI=1S/C24H17BrF3N5OS/c1-12-7-8-14-15(11-29)23(35-17(14)9-12)31-22(34)20-19(25)21-30-16(13-5-3-2-4-6-13)10-18(24(26,27)28)33(21)32-20/h2-6,10,12H,7-9H2,1H3,(H,31,34)/t12-/m1/s1

InChI Key

VSUZZBGSHCJOGT-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01244377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.4

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

6.619

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-5.67

Polar Surface Area

59.577

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

K061-0512 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 K061-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0512?
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What is the minimum amount of K061-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0512
  • 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 K061-0512 available by request