K061-0661 Screening compound: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide

K061-0661 Screening compound: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
K061-0661 Screening compound: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0661
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide

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

K061-0661

Molecular Formula

C17H17F3N4OS (C17 H17 F3 N4 OS)

Compound Name

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide

IUPAC name

N-{3-cyano-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide

SMILES

Cc1cc(C(F)(F)F)nn1CC(Nc(sc1c2CCCCC1)c2C#N)=O

InChI

InChI=1S/C17H17F3N4OS/c1-10-7-14(17(18,19)20)23-24(10)9-15(25)22-16-12(8-21)11-5-3-2-4-6-13(11)26-16/h7H,2-6,9H2,1H3,(H,22,25)

InChI Key

YQPZZHWFLMDIJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01244418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.663

Distribution Coefficient, logD

2.327

Water Solubility, LogSw

-4.09

Polar Surface Area

54.419

Acid Dissociation Constant (pKa)

6.09

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

K061-0661 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K061-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0661?
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What is the minimum amount of K061-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0661
  • 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 K061-0661 available by request