1641-0008 Screening compound: 3-[(2-benzoyl-4-bromophenyl)carbamoyl]propanoic acid

1641-0008 Screening compound: 3-[(2-benzoyl-4-bromophenyl)carbamoyl]propanoic acid
1641-0008 Screening compound: 3-[(2-benzoyl-4-bromophenyl)carbamoyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1641-0008
3-[(2-benzoyl-4-bromophenyl)carbamoyl]propanoic 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

1641-0008

Molecular Formula

C17H14BrNO4 (C17 H14 BrNO4)

Compound Name

3-[(2-benzoyl-4-bromophenyl)carbamoyl]propanoic acid

IUPAC name

3-[(2-benzoyl-4-bromophenyl)carbamoyl]propanoic acid

SMILES

OC(CCC(Nc(ccc(Br)c1)c1C(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C17H14BrNO4/c18-12-6-7-14(19-15(20)8-9-16(21)22)13(10-12)17(23)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)(H,21,22)

InChI Key

VQUZAZZFWIUWMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01024704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.591

Distribution Coefficient, logD

-0.359

Water Solubility, LogSw

-3.41

Polar Surface Area

64.541

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1641-0008 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 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
  • 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 1641-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1641-0008?
Check Price and Availability of 1641-0008, 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 1641-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1641-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1641-0008
  • 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 1641-0008 available by request