1751-0088 Screening compound: 4-(2-ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydro-1,2-oxazol-2-ium-2-olate

1751-0088 Screening compound: 4-(2-ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydro-1,2-oxazol-2-ium-2-olate
1751-0088 Screening compound: 4-(2-ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydro-1,2-oxazol-2-ium-2-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1751-0088
4-(2-ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydro-1,2-oxazol-2-ium-2-olate

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

1751-0088

Molecular Formula

C13H19NO8 (C13 H19 NO8)

Compound Name

4-(2-ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydro-1,2-oxazol-2-ium-2-olate

IUPAC name

4-(2-ethoxy-2-oxoethyl)-35-bis(ethoxycarbonyl)-45-dihydro-12-oxazol-2-ium-2-olate

SMILES

CCOC(CC1C(C(OCC)=O)=[N+]([O-])OC1C(OCC)=O)=O

InChI

InChI=1S/C13H19NO8/c1-4-19-9(15)7-8-10(12(16)20-5-2)14(18)22-11(8)13(17)21-6-3/h8,11H,4-7H2,1-3H3

InChI Key

AIRYSWPEBMSEHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00851247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.3

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.155

Distribution Coefficient, logD

1.155

Water Solubility, LogSw

-1.80

Polar Surface Area

94.645

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.20

References: we are preparing a list of scientific research reports with 1751-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1751-0088?
Check Price and Availability of 1751-0088, 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 1751-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1751-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1751-0088
  • 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 1751-0088 available by request