8014-1063 Screening compound: [4-(ethoxycarbonyl)phenyl]methyl 4-amino-1,2,5-oxadiazole-3-carboxylate

8014-1063 Screening compound: [4-(ethoxycarbonyl)phenyl]methyl 4-amino-1,2,5-oxadiazole-3-carboxylate
8014-1063 Screening compound: [4-(ethoxycarbonyl)phenyl]methyl 4-amino-1,2,5-oxadiazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1063
[4-(ethoxycarbonyl)phenyl]methyl 4-amino-1,2,5-oxadiazole-3-carboxylate

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

8014-1063

Molecular Formula

C13H13N3O5 (C13 H13 N3 O5)

Compound Name

[4-(ethoxycarbonyl)phenyl]methyl 4-amino-1,2,5-oxadiazole-3-carboxylate

IUPAC name

[4-(ethoxycarbonyl)phenyl]methyl 4-amino-125-oxadiazole-3-carboxylate

SMILES

CCOC(c1ccc(COC(c2nonc2N)=O)cc1)=O

InChI

InChI=1S/C13H13N3O5/c1-2-19-12(17)9-5-3-8(4-6-9)7-20-13(18)10-11(14)16-21-15-10/h3-6H,2,7H2,1H3,(H2,14,16)

InChI Key

GMDWYBPPRFSHBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.315

Distribution Coefficient, logD

2.315

Water Solubility, LogSw

-2.43

Polar Surface Area

98.935

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8014-1063 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1063?
Check Price and Availability of 8014-1063, 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 8014-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1063
  • 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 8014-1063 available by request