2196-0478 Screening compound: 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid

2196-0478 Screening compound: 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid
2196-0478 Screening compound: 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2196-0478
3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic 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

2196-0478

Molecular Formula

C19H20ClNO3 (C19 H20 ClNO3)

Compound Name

3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid

IUPAC name

3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid

SMILES

CC(C(CC(O)=O)C(Nc1cccc(Cl)c1C)=O)c1ccccc1

InChI

InChI=1S/C19H20ClNO3/c1-12(14-7-4-3-5-8-14)15(11-18(22)23)19(24)21-17-10-6-9-16(20)13(17)2/h3-10,12,15H,11H2,1-2H3,(H,21,24)(H,22,23)

InChI Key

FKGMRMZWDUIXMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01789917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

1.214

Water Solubility, LogSw

-3.84

Polar Surface Area

51.016

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

2196-0478 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2196-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2196-0478?
Check Price and Availability of 2196-0478, 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 2196-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2196-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2196-0478
  • 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 2196-0478 available by request