4470-1098 Screening compound: 2-[(4-methylphenoxy)carbonyl]phenylphosphonic acid

4470-1098 Screening compound: 2-[(4-methylphenoxy)carbonyl]phenylphosphonic acid
4470-1098 Screening compound: 2-[(4-methylphenoxy)carbonyl]phenylphosphonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4470-1098
2-[(4-methylphenoxy)carbonyl]phenylphosphonic 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

4470-1098

Molecular Formula

C14H13O5P (C14 H13 O5 P)

Compound Name

2-[(4-methylphenoxy)carbonyl]phenylphosphonic acid

IUPAC name

{2-[(4-methylphenoxy)carbonyl]phenyl}phosphonic acid

SMILES

Cc(cc1)ccc1OC(c(cccc1)c1P(O)(O)=O)=O

InChI

InChI=1S/C14H13O5P/c1-10-6-8-11(9-7-10)19-14(15)12-4-2-3-5-13(12)20(16,17)18/h2-9H,1H3,(H2,16,17,18)

InChI Key

KKMGJFFPVSCYQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.985

Distribution Coefficient, logD

-4.595

Water Solubility, LogSw

-2.43

Polar Surface Area

64.230

Acid Dissociation Constant (pKa)

0.82

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

4470-1098 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4470-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4470-1098?
Check Price and Availability of 4470-1098, 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 4470-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4470-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4470-1098
  • 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 4470-1098 available by request