4594-0803 Screening compound: (1,4-dimethoxy-1,4-dioxobutan-2-yl)[(N-methylmethanesulfonamido)methyl]phosphinic acid

4594-0803 Screening compound: (1,4-dimethoxy-1,4-dioxobutan-2-yl)[(N-methylmethanesulfonamido)methyl]phosphinic acid
4594-0803 Screening compound: (1,4-dimethoxy-1,4-dioxobutan-2-yl)[(N-methylmethanesulfonamido)methyl]phosphinic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4594-0803
(1,4-dimethoxy-1,4-dioxobutan-2-yl)[(N-methylmethanesulfonamido)methyl]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

4594-0803

Molecular Formula

C9H18NO8PS (C9 H18 NO8 PS)

Compound Name

(1,4-dimethoxy-1,4-dioxobutan-2-yl)[(N-methylmethanesulfonamido)methyl]phosphinic acid

IUPAC name

(14-dimethoxy-14-dioxobutan-2-yl)[(N-methylmethanesulfonamido)methyl]phosphinic acid

SMILES

CN(CP(C(CC(OC)=O)C(OC)=O)(O)=O)S(C)(=O)=O

InChI

InChI=1S/C9H18NO8PS/c1-10(20(4,15)16)6-19(13,14)7(9(12)18-3)5-8(11)17-2/h7H,5-6H2,1-4H3,(H,13,14)

InChI Key

VALSECVMOSUXOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02106646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.28

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.406

Distribution Coefficient, logD

-6.650

Water Solubility, LogSw

-0.97

Polar Surface Area

102.066

Acid Dissociation Constant (pKa)

2.16

Base Dissociation Constant (pKb)

-7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.80

4594-0803 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4594-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4594-0803?
Check Price and Availability of 4594-0803, 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 4594-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4594-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4594-0803
  • 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 4594-0803 available by request