K061-0561 Screening compound: ethyl 2-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

K061-0561 Screening compound: ethyl 2-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
K061-0561 Screening compound: ethyl 2-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0561
ethyl 2-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H-cyclopenta[b]thiophene-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

K061-0561

Molecular Formula

C22H17F3N4O3S2 (C22 H17 F3 N4 O3 S2)

Compound Name

ethyl 2-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C22H17F3N4O3S2/c1-2-32-21(31)18-11-5-3-6-14(11)34-20(18)27-19(30)13-10-17-26-12(15-7-4-8-33-15)9-16(22(23,24)25)29(17)28-13/h4,7-10H,2-3,5-6H2,1H3,(H,27,30)

InChI Key

JPHYPVBTADYAOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01451841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.53

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

5.362

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-5.35

Polar Surface Area

63.342

Acid Dissociation Constant (pKa)

4.73

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K061-0561 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K061-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0561?
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What is the minimum amount of K061-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0561
  • 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 K061-0561 available by request