K061-0182 Screening compound: 2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N~1~-(2-thienylmethyl)acetamide

K061-0182 Screening compound: 2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N~1~-(2-thienylmethyl)acetamide
K061-0182 Screening compound: 2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N~1~-(2-thienylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0182
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N~1~-(2-thienylmethyl)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

K061-0182

Molecular Formula

C12H12F3N3OS (C12 H12 F3 N3 OS)

Compound Name

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N~1~-(2-thienylmethyl)acetamide

IUPAC name

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(thiophen-2-yl)methyl]acetamide

SMILES

Cc1cc(C(F)(F)F)nn1CC(NCc1cccs1)=O

InChI

InChI=1S/C12H12F3N3OS/c1-8-5-10(12(13,14)15)17-18(8)7-11(19)16-6-9-3-2-4-20-9/h2-5H,6-7H2,1H3,(H,16,19)

InChI Key

HGNOOVXEOWIOIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00996935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.090

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-2.80

Polar Surface Area

39.657

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

K061-0182 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
  • Agro
Structure:
  • Pool
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K061-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0182?
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What is the minimum amount of K061-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0182
  • 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 K061-0182 available by request