1310-0557 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one

1310-0557 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one
1310-0557 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1310-0557
(2E)-3-(2H-1,3-benzodioxol-5-yl)-1-phenylprop-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

1310-0557

Molecular Formula

C16H12O3 (C16 H12 O3)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-1-phenylprop-2-en-1-one

SMILES

O=C(/C=C/c(cc1)cc2c1OCO2)c1ccccc1

InChI

InChI=1S/C16H12O3/c17-14(13-4-2-1-3-5-13)8-6-12-7-9-15-16(10-12)19-11-18-15/h1-10H,11H2

InChI Key

ATKADZVINWFQOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00022990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.643

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-3.97

Polar Surface Area

30.329

Acid Dissociation Constant (pKa)

38.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1310-0557 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1310-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1310-0557?
Check Price and Availability of 1310-0557, 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 1310-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1310-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1310-0557
  • 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 1310-0557 available by request