8018-6417 Screening compound: 4-amino-3-(ethoxycarbonyl)-1,2,5-oxadiazol-2-ium-2-olate

8018-6417 Screening compound: 4-amino-3-(ethoxycarbonyl)-1,2,5-oxadiazol-2-ium-2-olate
8018-6417 Screening compound: 4-amino-3-(ethoxycarbonyl)-1,2,5-oxadiazol-2-ium-2-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6417
4-amino-3-(ethoxycarbonyl)-1,2,5-oxadiazol-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

8018-6417

Molecular Formula

C5H7N3O4 (C5 H7 N3 O4)

Compound Name

4-amino-3-(ethoxycarbonyl)-1,2,5-oxadiazol-2-ium-2-olate

IUPAC name

4-amino-3-(ethoxycarbonyl)-125-oxadiazol-2-ium-2-olate

SMILES

CCOC(c1[n+]([O-])onc1N)=O

InChI

InChI=1S/C5H7N3O4/c1-2-11-5(9)3-4(6)7-12-8(3)10/h2H2,1H3,(H2,6,7)

InChI Key

CWFBZYDCTISVCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03756662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

173.13

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.196

Distribution Coefficient, logD

-0.196

Water Solubility, LogSw

0.36

Polar Surface Area

81.950

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8018-6417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6417?
Check Price and Availability of 8018-6417, 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 8018-6417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6417
  • 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 8018-6417 available by request