2257-0506 Screening compound: 3-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-methylphenyl)butanoic acid

2257-0506 Screening compound: 3-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-methylphenyl)butanoic acid
2257-0506 Screening compound: 3-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-methylphenyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2257-0506
3-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-methylphenyl)butanoic 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

2257-0506

Molecular Formula

C19H20FNO3 (C19 H20 FNO3)

Compound Name

3-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-methylphenyl)butanoic acid

IUPAC name

3-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-methylphenyl)butanoic acid

SMILES

CC(C(Cc1ccc(C)cc1)C(Nc(cc1)ccc1F)=O)C(O)=O

InChI

InChI=1S/C19H20FNO3/c1-12-3-5-14(6-4-12)11-17(13(2)19(23)24)18(22)21-16-9-7-15(20)8-10-16/h3-10,13,17H,11H2,1-2H3,(H,21,22)(H,23,24)

InChI Key

BBRLINWIXHPXMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.37

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

3.388

Distribution Coefficient, logD

0.979

Water Solubility, LogSw

-3.51

Polar Surface Area

51.738

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

2257-0506 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2257-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2257-0506?
Check Price and Availability of 2257-0506, 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 2257-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2257-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2257-0506
  • 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 2257-0506 available by request