0053-0022 Screening compound: 2-bromo-1-{4'-octyl-[1,1'-biphenyl]-4-yl}ethan-1-one

0053-0022 Screening compound: 2-bromo-1-{4'-octyl-[1,1'-biphenyl]-4-yl}ethan-1-one
0053-0022 Screening compound: 2-bromo-1-{4'-octyl-[1,1'-biphenyl]-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0053-0022
2-bromo-1-{4'-octyl-[1,1'-biphenyl]-4-yl}ethan-1-one

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

0053-0022

Molecular Formula

C22H27BrO (C22 H27 BrO)

Compound Name

2-bromo-1-{4'-octyl-[1,1'-biphenyl]-4-yl}ethan-1-one

IUPAC name

2-bromo-1-{4'-octyl-[11'-biphenyl]-4-yl}ethan-1-one

SMILES

CCCCCCCCc(cc1)ccc1-c(cc1)ccc1C(CBr)=O

InChI

InChI=1S/C22H27BrO/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)20-13-15-21(16-14-20)22(24)17-23/h9-16H,2-8,17H2,1H3

InChI Key

IKNNMFOQCUXFSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00859434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

8.019

Distribution Coefficient, logD

8.019

Water Solubility, LogSw

-5.86

Polar Surface Area

13.214

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

0053-0022 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Covalent Inhibitors Library (7986 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0053-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0053-0022?
Check Price and Availability of 0053-0022, 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 0053-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0053-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0053-0022
  • 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 0053-0022 available by request