4594-0851 Screening compound: bis[2-(diethylsulfamoyl)ethyl]phosphinic acid

4594-0851 Screening compound: bis[2-(diethylsulfamoyl)ethyl]phosphinic acid
4594-0851 Screening compound: bis[2-(diethylsulfamoyl)ethyl]phosphinic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4594-0851
bis[2-(diethylsulfamoyl)ethyl]phosphinic 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

4594-0851

Molecular Formula

C12H29N2O6PS2 (C12 H29 N2 O6 PS2)

Compound Name

bis[2-(diethylsulfamoyl)ethyl]phosphinic acid

IUPAC name

bis[2-(diethylsulfamoyl)ethyl]phosphinic acid

SMILES

CCN(CC)S(CCP(CCS(N(CC)CC)(=O)=O)(O)=O)(=O)=O

InChI

InChI=1S/C12H29N2O6PS2/c1-5-13(6-2)22(17,18)11-9-21(15,16)10-12-23(19,20)14(7-3)8-4/h5-12H2,1-4H3,(H,15,16)

InChI Key

LXQQCVWFUAQCIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.307

Distribution Coefficient, logD

-5.986

Water Solubility, LogSw

-0.38

Polar Surface Area

92.399

Acid Dissociation Constant (pKa)

2.72

Base Dissociation Constant (pKb)

-6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

4594-0851 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 4594-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4594-0851?
Check Price and Availability of 4594-0851, 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 4594-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4594-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4594-0851
  • 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 4594-0851 available by request