0211-0013 Screening compound: [(1E)-2-phenylethenyl]phosphonic acid

0211-0013 Screening compound: [(1E)-2-phenylethenyl]phosphonic acid
0211-0013 Screening compound: [(1E)-2-phenylethenyl]phosphonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0211-0013
[(1E)-2-phenylethenyl]phosphonic 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

0211-0013

Molecular Formula

C8H9O3P (C8 H9 O3 P)

Compound Name

[(1E)-2-phenylethenyl]phosphonic acid

IUPAC name

[(1E)-2-phenylethenyl]phosphonic acid

SMILES

OP(/C=C/c1ccccc1)(O)=O

InChI

InChI=1S/C8H9O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,9,10,11)

InChI Key

PGKQTZHDCHKDQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.13

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.665

Distribution Coefficient, logD

-5.551

Water Solubility, LogSw

-0.88

Polar Surface Area

45.229

Acid Dissociation Constant (pKa)

1.18

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0211-0013 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0211-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0211-0013?
Check Price and Availability of 0211-0013, 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 0211-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0211-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0211-0013
  • 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 0211-0013 available by request