K061-0905 Screening compound: ethyl 5-acetyl-2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4-methylthiophene-3-carboxylate

K061-0905 Screening compound: ethyl 5-acetyl-2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4-methylthiophene-3-carboxylate
K061-0905 Screening compound: ethyl 5-acetyl-2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0905
ethyl 5-acetyl-2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4-methylthiophene-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

K061-0905

Molecular Formula

C24H17BrClF3N4O4S (C24 H17 BrClF3 N4 O4 S)

Compound Name

ethyl 5-acetyl-2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-acetyl-2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4Br)nc3c2Cl)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C24H17BrClF3N4O4S/c1-4-37-23(36)16-10(2)19(11(3)34)38-22(16)31-21(35)18-17(26)20-30-14(12-5-7-13(25)8-6-12)9-15(24(27,28)29)33(20)32-18/h5-9H,4H2,1-3H3,(H,31,35)

InChI Key

IGTHKWSNVXPPCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01528413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.402

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-6.64

Polar Surface Area

77.180

Acid Dissociation Constant (pKa)

3.26

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K061-0905 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K061-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0905?
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What is the minimum amount of K061-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0905
  • 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 K061-0905 available by request