0325-0380 Screening compound: 2,3-dibromo-3-phenylpropanoic acid

0325-0380 Screening compound: 2,3-dibromo-3-phenylpropanoic acid
0325-0380 Screening compound: 2,3-dibromo-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0325-0380
2,3-dibromo-3-phenylpropanoic 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

0325-0380

Molecular Formula

C9H8Br2O2 (C9 H8 Br2 O2)

Compound Name

2,3-dibromo-3-phenylpropanoic acid

IUPAC name

23-dibromo-3-phenylpropanoic acid

SMILES

OC(C(C(c1ccccc1)Br)Br)=O

InChI

InChI=1S/C9H8Br2O2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,(H,12,13)

InChI Key

FXJWTHBNVZNQQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00004208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.97

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.745

Distribution Coefficient, logD

-1.299

Water Solubility, LogSw

-2.73

Polar Surface Area

28.647

Acid Dissociation Constant (pKa)

3.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

0325-0380 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0325-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0325-0380?
Check Price and Availability of 0325-0380, 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 0325-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0325-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0325-0380
  • 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 0325-0380 available by request