1553-0268 Screening compound: 4-(4-bromophenyl)-3-[(4-ethoxyphenyl)carbamoyl]butanoic acid

1553-0268 Screening compound: 4-(4-bromophenyl)-3-[(4-ethoxyphenyl)carbamoyl]butanoic acid
1553-0268 Screening compound: 4-(4-bromophenyl)-3-[(4-ethoxyphenyl)carbamoyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1553-0268
4-(4-bromophenyl)-3-[(4-ethoxyphenyl)carbamoyl]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

1553-0268

Molecular Formula

C19H20BrNO4 (C19 H20 BrNO4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(C(CC(O)=O)Cc(cc1)ccc1Br)=O

InChI

InChI=1S/C19H20BrNO4/c1-2-25-17-9-7-16(8-10-17)21-19(24)14(12-18(22)23)11-13-3-5-15(20)6-4-13/h3-10,14H,2,11-12H2,1H3,(H,21,24)(H,22,23)/t14-/m1/s1

InChI Key

CIWLJFIKROSRJT-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01079895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.28

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

3.412

Distribution Coefficient, logD

0.766

Water Solubility, LogSw

-3.27

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

26.30

1553-0268 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 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
  • Musculoskeletal
  • Metabolic
  • Immune system
  • 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 1553-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1553-0268?
Check Price and Availability of 1553-0268, 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 1553-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1553-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1553-0268
  • 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 1553-0268 available by request