0831-0895 Screening compound: (2E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

0831-0895 Screening compound: (2E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
0831-0895 Screening compound: (2E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0895
(2E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-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

0831-0895

Molecular Formula

C16H14O3 (C16 H14 O3)

Compound Name

(2E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

IUPAC name

(2E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

SMILES

COc1ccc(/C=C/C(c(cccc2)c2O)=O)cc1

InChI

InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3

InChI Key

NXBNYUSXDBHELA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00016447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

3.994

Water Solubility, LogSw

-3.46

Polar Surface Area

37.306

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

0831-0895 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Human Proteases Annotated Library (2868 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

PLpro Library (6343 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 0831-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0895?
Check Price and Availability of 0831-0895, 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 0831-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0895
  • 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 0831-0895 available by request