1222-0120 Screening compound: (3-fluoro-4-methoxyphenyl)boronic acid

1222-0120 Screening compound: (3-fluoro-4-methoxyphenyl)boronic acid
1222-0120 Screening compound: (3-fluoro-4-methoxyphenyl)boronic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1222-0120
(3-fluoro-4-methoxyphenyl)boronic 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

1222-0120

Molecular Formula

C7H8BFO3 (C7 H8 BFO3)

Compound Name

(3-fluoro-4-methoxyphenyl)boronic acid

IUPAC name

(3-fluoro-4-methoxyphenyl)boronic acid

SMILES

COc(ccc(B(O)O)c1)c1F

InChI

InChI=1S/C7H8BFO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3

InChI Key

IILGLPAJXQMKGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

169.95

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.204

Distribution Coefficient, logD

1.204

Water Solubility, LogSw

-1.77

Polar Surface Area

44.235

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1222-0120 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1222-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1222-0120?
Check Price and Availability of 1222-0120, 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 1222-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1222-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1222-0120
  • 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 1222-0120 available by request