6732-0092 Screening compound: diethyl {[(3,5-dichlorophenyl)amino](3-hydroxyphenyl)methyl}phosphonate

6732-0092 Screening compound: diethyl {[(3,5-dichlorophenyl)amino](3-hydroxyphenyl)methyl}phosphonate
6732-0092 Screening compound: diethyl {[(3,5-dichlorophenyl)amino](3-hydroxyphenyl)methyl}phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0092
diethyl {[(3,5-dichlorophenyl)amino](3-hydroxyphenyl)methyl}phosphonate

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

6732-0092

Molecular Formula

C17H20Cl2NO4P (C17 H20 Cl2 NO4 P)

Compound Name

diethyl {[(3,5-dichlorophenyl)amino](3-hydroxyphenyl)methyl}phosphonate

IUPAC name

diethyl {[(35-dichlorophenyl)amino](3-hydroxyphenyl)methyl}phosphonate

SMILES

CCOP(C(c1cc(O)ccc1)Nc1cc(Cl)cc(Cl)c1)(OCC)=O

InChI

InChI=1S/C17H20Cl2NO4P/c1-3-23-25(22,24-4-2)17(12-6-5-7-16(21)8-12)20-15-10-13(18)9-14(19)11-15/h5-11,17,20-21H,3-4H2,1-2H3/t17-/m0/s1

InChI Key

WCVPKQIJKAJDCT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01348275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

4.712

Water Solubility, LogSw

-4.53

Polar Surface Area

57.732

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

6732-0092 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

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 6732-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0092?
Check Price and Availability of 6732-0092, 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 6732-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0092
  • 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 6732-0092 available by request