0054-0178 Screening compound: (4-ethylphenyl)boronic acid

0054-0178 Screening compound: (4-ethylphenyl)boronic acid
0054-0178 Screening compound: (4-ethylphenyl)boronic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0178
(4-ethylphenyl)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

0054-0178

Molecular Formula

C8H11BO2 (C8 H11 BO2)

Compound Name

(4-ethylphenyl)boronic acid

IUPAC name

(4-ethylphenyl)boronic acid

SMILES

CCc1ccc(B(O)O)cc1

InChI

InChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3

InChI Key

RZCPLOMUUCFPQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00859377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

149.99

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.163

Distribution Coefficient, logD

2.162

Water Solubility, LogSw

-1.66

Polar Surface Area

36.605

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0054-0178 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0054-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0178?
Check Price and Availability of 0054-0178, 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 0054-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0178
  • 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 0054-0178 available by request