4594-0825 Screening compound: 1,4-dimethyl 2-[ethoxy(methyl)phosphoryl]butanedioate

4594-0825 Screening compound: 1,4-dimethyl 2-[ethoxy(methyl)phosphoryl]butanedioate
4594-0825 Screening compound: 1,4-dimethyl 2-[ethoxy(methyl)phosphoryl]butanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4594-0825
1,4-dimethyl 2-[ethoxy(methyl)phosphoryl]butanedioate

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

4594-0825

Molecular Formula

C9H17O6P (C9 H17 O6 P)

Compound Name

1,4-dimethyl 2-[ethoxy(methyl)phosphoryl]butanedioate

IUPAC name

14-dimethyl 2-[ethoxy(methyl)phosphoryl]butanedioate

SMILES

CCOP(C)(C(CC(OC)=O)C(OC)=O)=O

InChI

InChI=1S/C9H17O6P/c1-5-15-16(4,12)7(9(11)14-3)6-8(10)13-2/h7H,5-6H2,1-4H3

InChI Key

XAQIMZALXDQEAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.2

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.575

Distribution Coefficient, logD

-0.575

Water Solubility, LogSw

0.21

Polar Surface Area

65.322

Acid Dissociation Constant (pKa)

18.30

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

77.80

References: we are preparing a list of scientific research reports with 4594-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4594-0825?
Check Price and Availability of 4594-0825, 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 4594-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4594-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4594-0825
  • 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 4594-0825 available by request