K061-0186 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

K061-0186 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
K061-0186 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0186
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)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

K061-0186

Molecular Formula

C15H14BrClF3N3O3 (C15 H14 BrClF3 N3 O3)

Compound Name

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

IUPAC name

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-chloro-25-dimethoxyphenyl)acetamide

SMILES

Cc(n(CC(Nc(cc(c(Cl)c1)OC)c1OC)=O)nc1C(F)(F)F)c1Br

InChI

InChI=1S/C15H14BrClF3N3O3/c1-7-13(16)14(15(18,19)20)22-23(7)6-12(24)21-9-5-10(25-2)8(17)4-11(9)26-3/h4-5H,6H2,1-3H3,(H,21,24)

InChI Key

XUAFMXFQWDASDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00996940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.57

Polar Surface Area

52.426

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K061-0186 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K061-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0186?
Check Price and Availability of K061-0186, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K061-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0186
  • 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 K061-0186 available by request