R094-0013 Screening compound: 4-bromobenzoic acid

R094-0013 Screening compound: 4-bromobenzoic acid
R094-0013 Screening compound: 4-bromobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R094-0013
4-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

R094-0013

Molecular Formula

C7H5BrO2 (C7 H5 BrO2)

Compound Name

4-bromobenzoic acid

IUPAC name

4-bromobenzoic acid

SMILES

OC(c(cc1)ccc1Br)=O

InChI

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

InChI Key

TUXYZHVUPGXXQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00002529

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

2.872

Distribution Coefficient, logD

-0.369

Water Solubility, LogSw

-3.00

Polar Surface Area

28.647

Acid Dissociation Constant (pKa)

4.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

R094-0013 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with R094-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R094-0013?
Check Price and Availability of R094-0013, 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 R094-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R094-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R094-0013
  • 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 R094-0013 available by request