R034-0131 Screening compound: 4-[(2-bromo-4-methylphenyl)carbamoyl]butanoic acid

R034-0131 Screening compound: 4-[(2-bromo-4-methylphenyl)carbamoyl]butanoic acid
R034-0131 Screening compound: 4-[(2-bromo-4-methylphenyl)carbamoyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R034-0131
4-[(2-bromo-4-methylphenyl)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

R034-0131

Molecular Formula

C12H14BrNO3 (C12 H14 BrNO3)

Compound Name

4-[(2-bromo-4-methylphenyl)carbamoyl]butanoic acid

IUPAC name

4-[(2-bromo-4-methylphenyl)carbamoyl]butanoic acid

SMILES

Cc(cc1)cc(Br)c1NC(CCCC(O)=O)=O

InChI

InChI=1S/C12H14BrNO3/c1-8-5-6-10(9(13)7-8)14-11(15)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,14,15)(H,16,17)

InChI Key

FEQMDQVAXCJPDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.612

Distribution Coefficient, logD

-0.986

Water Solubility, LogSw

-1.96

Polar Surface Area

51.074

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

R034-0131 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 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 R034-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R034-0131?
Check Price and Availability of R034-0131, 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 R034-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R034-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R034-0131
  • 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 R034-0131 available by request