8018-8191 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4-phenylbutanoic acid

8018-8191 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4-phenylbutanoic acid
8018-8191 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4-phenylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8191
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4-phenylbutanoic acid

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

8018-8191

Molecular Formula

C15H16N2O3 (C15 H16 N2 O3)

Compound Name

2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4-phenylbutanoic acid

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-4-oxo-4-phenylbutanoic acid

SMILES

Cc1cc(C)nn1C(CC(c1ccccc1)=O)C(O)=O

InChI

InChI=1S/C15H16N2O3/c1-10-8-11(2)17(16-10)13(15(19)20)9-14(18)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3,(H,19,20)/t13-/m0/s1

InChI Key

JWCXDRLQQIFFKJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD09062580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.863

Distribution Coefficient, logD

-2.874

Water Solubility, LogSw

-1.63

Polar Surface Area

55.302

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

8018-8191 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-8191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8191?
Check Price and Availability of 8018-8191, 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 8018-8191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8191
  • 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 8018-8191 available by request