R094-0012 Screening compound: 2-bromobenzoic acid

R094-0012 Screening compound: 2-bromobenzoic acid
R094-0012 Screening compound: 2-bromobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R094-0012
2-bromobenzoic 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

R094-0012

Molecular Formula

C7H5BrO2 (C7 H5 BrO2)

Compound Name

2-bromobenzoic acid

IUPAC name

2-bromobenzoic acid

SMILES

OC(c(cccc1)c1Br)=O

InChI

InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

InChI Key

XRXMNWGCKISMOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00002402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

201.02

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.127

Distribution Coefficient, logD

-2.215

Water Solubility, LogSw

-2.18

Polar Surface Area

28.647

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

R094-0012 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with R094-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R094-0012?
Check Price and Availability of R094-0012, 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 R094-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R094-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R094-0012
  • 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 R094-0012 available by request