0087-0047 Screening compound: 2-[(1E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazole

0087-0047 Screening compound: 2-[(1E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazole
0087-0047 Screening compound: 2-[(1E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0087-0047
2-[(1E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazole

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

0087-0047

Molecular Formula

C15H10ClNO (C15 H10 ClNO)

Compound Name

2-[(1E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazole

IUPAC name

2-[(1E)-2-(4-chlorophenyl)ethenyl]-13-benzoxazole

SMILES

Clc1ccc(/C=C/c2nc(cccc3)c3o2)cc1

InChI

InChI=1S/C15H10ClNO/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H

InChI Key

LUHPFRGVJFNUOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00438702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.7

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.118

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-5.99

Polar Surface Area

16.714

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0087-0047 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anti-Aging Library (44940 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Epigenetic
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 0087-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0087-0047?
Check Price and Availability of 0087-0047, 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 0087-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0087-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0087-0047
  • 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 0087-0047 available by request