0096-0241 Screening compound: ethyl (2E)-3-[(dibutoxyphosphoryl)oxy]but-2-enoate

0096-0241 Screening compound: ethyl (2E)-3-[(dibutoxyphosphoryl)oxy]but-2-enoate
0096-0241 Screening compound: ethyl (2E)-3-[(dibutoxyphosphoryl)oxy]but-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0096-0241
ethyl (2E)-3-[(dibutoxyphosphoryl)oxy]but-2-enoate

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

0096-0241

Molecular Formula

C14H27O6P (C14 H27 O6 P)

Compound Name

ethyl (2E)-3-[(dibutoxyphosphoryl)oxy]but-2-enoate

IUPAC name

ethyl (2E)-3-[(dibutoxyphosphoryl)oxy]but-2-enoate

SMILES

CCCCOP(OCCCC)(O/C(/C)=C/C(OCC)=O)=O

InChI

InChI=1S/C14H27O6P/c1-5-8-10-18-21(16,19-11-9-6-2)20-13(4)12-14(15)17-7-3/h12H,5-11H2,1-4H3

InChI Key

UJPLAEVXBYEKBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00416370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.073

Distribution Coefficient, logD

4.073

Water Solubility, LogSw

-4.03

Polar Surface Area

57.897

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.60

References: we are preparing a list of scientific research reports with 0096-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0096-0241?
Check Price and Availability of 0096-0241, 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 0096-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0096-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0096-0241
  • 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 0096-0241 available by request