8015-9177 Screening compound: 4-({[(ethoxycarbonyl)amino]carbonyl}amino)-3-(methoxycarbonyl)-1,2,5-oxadiazol-2-ium-2-olate

8015-9177 Screening compound: 4-({[(ethoxycarbonyl)amino]carbonyl}amino)-3-(methoxycarbonyl)-1,2,5-oxadiazol-2-ium-2-olate
8015-9177 Screening compound: 4-({[(ethoxycarbonyl)amino]carbonyl}amino)-3-(methoxycarbonyl)-1,2,5-oxadiazol-2-ium-2-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9177
4-({[(ethoxycarbonyl)amino]carbonyl}amino)-3-(methoxycarbonyl)-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

8015-9177

Molecular Formula

C8H10N4O7 (C8 H10 N4 O7)

Compound Name

4-({[(ethoxycarbonyl)amino]carbonyl}amino)-3-(methoxycarbonyl)-1,2,5-oxadiazol-2-ium-2-olate

IUPAC name

4-({[(ethoxycarbonyl)amino]carbonyl}amino)-3-(methoxycarbonyl)-125-oxadiazol-2-ium-2-olate

SMILES

CCOC(NC(Nc1no[n+]([O-])c1C(OC)=O)=O)=O

InChI

InChI=1S/C8H10N4O7/c1-3-18-8(15)10-7(14)9-5-4(6(13)17-2)12(16)19-11-5/h3H2,1-2H3,(H2,9,10,11,14,15)

InChI Key

RYXLJVBRVQFTKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.19

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.095

Distribution Coefficient, logD

-7.651

Water Solubility, LogSw

-1.27

Polar Surface Area

117.147

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8015-9177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9177?
Check Price and Availability of 8015-9177, 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 8015-9177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9177
  • 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 8015-9177 available by request