K061-0915 Screening compound: methyl 2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K061-0915 Screening compound: methyl 2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K061-0915 Screening compound: methyl 2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0915
methyl 2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-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

K061-0915

Molecular Formula

C24H17BrClF3N4O3S (C24 H17 BrClF3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4Br)nc3c2Cl)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C24H17BrClF3N4O3S/c1-36-23(35)17-13-4-2-3-5-15(13)37-22(17)31-21(34)19-18(26)20-30-14(11-6-8-12(25)9-7-11)10-16(24(27,28)29)33(20)32-19/h6-10H,2-5H2,1H3,(H,31,34)

InChI Key

UGMNTGKLPVLZDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01447377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.154

Distribution Coefficient, logD

3.569

Water Solubility, LogSw

-6.78

Polar Surface Area

63.694

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K061-0915 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 K061-0915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0915?
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What is the minimum amount of K061-0915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0915
  • 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 K061-0915 available by request