1482-0091 Screening compound: 3-[(4-ethoxyphenyl)carbamoyl]-4-(4-methylphenyl)butanoic acid

1482-0091 Screening compound: 3-[(4-ethoxyphenyl)carbamoyl]-4-(4-methylphenyl)butanoic acid
1482-0091 Screening compound: 3-[(4-ethoxyphenyl)carbamoyl]-4-(4-methylphenyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1482-0091
3-[(4-ethoxyphenyl)carbamoyl]-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

1482-0091

Molecular Formula

C20H23NO4 (C20 H23 NO4)

Compound Name

3-[(4-ethoxyphenyl)carbamoyl]-4-(4-methylphenyl)butanoic acid

IUPAC name

3-[(4-ethoxyphenyl)carbamoyl]-4-(4-methylphenyl)butanoic acid

SMILES

CCOc(cc1)ccc1NC(C(CC(O)=O)Cc1ccc(C)cc1)=O

InChI

InChI=1S/C20H23NO4/c1-3-25-18-10-8-17(9-11-18)21-20(24)16(13-19(22)23)12-15-6-4-14(2)5-7-15/h4-11,16H,3,12-13H2,1-2H3,(H,21,24)(H,22,23)/t16-/m1/s1

InChI Key

SNAHCYLESZADEH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01078727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

0.356

Water Solubility, LogSw

-3.13

Polar Surface Area

58.837

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

1482-0091 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 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 1482-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1482-0091?
Check Price and Availability of 1482-0091, 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 1482-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1482-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1482-0091
  • 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 1482-0091 available by request