8017-9781 Screening compound: 2-bromo-3-(4-fluorophenyl)propanoic acid

8017-9781 Screening compound: 2-bromo-3-(4-fluorophenyl)propanoic acid
8017-9781 Screening compound: 2-bromo-3-(4-fluorophenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9781
2-bromo-3-(4-fluorophenyl)propanoic 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

8017-9781

Molecular Formula

C9H8BrFO2 (C9 H8 BrFO2)

Compound Name

2-bromo-3-(4-fluorophenyl)propanoic acid

IUPAC name

2-bromo-3-(4-fluorophenyl)propanoic acid

SMILES

OC(C(Cc(cc1)ccc1F)Br)=O

InChI

InChI=1S/C9H8BrFO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8H,5H2,(H,12,13)/t8-/m0/s1

InChI Key

AVZQUBVTIHNGRC-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD06260538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.06

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

2.295

Distribution Coefficient, logD

-1.749

Water Solubility, LogSw

-2.37

Polar Surface Area

28.647

Acid Dissociation Constant (pKa)

3.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8017-9781 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

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

References: we are preparing a list of scientific research reports with 8017-9781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9781?
Check Price and Availability of 8017-9781, 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 8017-9781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9781
  • 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 8017-9781 available by request