C798-0675 Screening compound: 2-(4-bromo-2-formylphenoxy)acetic acid

C798-0675 Screening compound: 2-(4-bromo-2-formylphenoxy)acetic acid
C798-0675 Screening compound: 2-(4-bromo-2-formylphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0675
2-(4-bromo-2-formylphenoxy)acetic 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

C798-0675

Molecular Formula

C9H7BrO4 (C9 H7 BrO4)

Compound Name

2-(4-bromo-2-formylphenoxy)acetic acid

IUPAC name

2-(4-bromo-2-formylphenoxy)acetic acid

SMILES

OC(COc(cc1)c(C=O)cc1Br)=O

InChI

InChI=1S/C9H7BrO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-4H,5H2,(H,12,13)

InChI Key

KXRYNWDCFUKVNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02257408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.089

Distribution Coefficient, logD

-2.148

Water Solubility, LogSw

-2.50

Polar Surface Area

50.367

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C798-0675 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C798-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0675?
Check Price and Availability of C798-0675, 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 C798-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0675
  • 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 C798-0675 available by request