1482-0060 Screening compound: 3-[(2,5-dimethylphenyl)carbamoyl]-4-phenylbutanoic acid

1482-0060 Screening compound: 3-[(2,5-dimethylphenyl)carbamoyl]-4-phenylbutanoic acid
1482-0060 Screening compound: 3-[(2,5-dimethylphenyl)carbamoyl]-4-phenylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1482-0060
3-[(2,5-dimethylphenyl)carbamoyl]-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

1482-0060

Molecular Formula

C19H21NO3 (C19 H21 NO3)

Compound Name

3-[(2,5-dimethylphenyl)carbamoyl]-4-phenylbutanoic acid

IUPAC name

3-[(25-dimethylphenyl)carbamoyl]-4-phenylbutanoic acid

SMILES

Cc1cc(NC(C(CC(O)=O)Cc2ccccc2)=O)c(C)cc1

InChI

InChI=1S/C19H21NO3/c1-13-8-9-14(2)17(10-13)20-19(23)16(12-18(21)22)11-15-6-4-3-5-7-15/h3-10,16H,11-12H2,1-2H3,(H,20,23)(H,21,22)/t16-/m1/s1

InChI Key

LJSSAUPUMWBCOY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00689150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

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

2.549

Distribution Coefficient, logD

-0.097

Water Solubility, LogSw

-2.75

Polar Surface Area

51.016

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

1482-0060 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool
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 1482-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1482-0060?
Check Price and Availability of 1482-0060, 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 1482-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1482-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1482-0060
  • 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 1482-0060 available by request