K061-0798 Screening compound: ethyl 2-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K061-0798 Screening compound: ethyl 2-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K061-0798 Screening compound: ethyl 2-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0798
ethyl 2-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

K061-0798

Molecular Formula

C26H22BrF3N4O3S (C26 H22 BrF3 N4 O3 S)

Compound Name

ethyl 2-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4Br)nc3c2)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C26H22BrF3N4O3S/c1-3-37-25(36)22-16-9-4-13(2)10-19(16)38-24(22)32-23(35)18-12-21-31-17(14-5-7-15(27)8-6-14)11-20(26(28,29)30)34(21)33-18/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,32,35)/t13-/m1/s1

InChI Key

AZPVQZVPPHVWFR-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01528318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

607.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.396

Distribution Coefficient, logD

4.749

Water Solubility, LogSw

-5.80

Polar Surface Area

61.957

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

K061-0798 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K061-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0798?
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What is the minimum amount of K061-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0798
  • 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 K061-0798 available by request