8017-3613 Screening compound: diethyl 1,2,5-oxadiazole-3,4-dicarboxylate

8017-3613 Screening compound: diethyl 1,2,5-oxadiazole-3,4-dicarboxylate
8017-3613 Screening compound: diethyl 1,2,5-oxadiazole-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3613
diethyl 1,2,5-oxadiazole-3,4-dicarboxylate

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

8017-3613

Molecular Formula

C8H10N2O5 (C8 H10 N2 O5)

Compound Name

diethyl 1,2,5-oxadiazole-3,4-dicarboxylate

IUPAC name

34-diethyl 125-oxadiazole-34-dicarboxylate

SMILES

CCOC(c1nonc1C(OCC)=O)=O

InChI

InChI=1S/C8H10N2O5/c1-3-13-7(11)5-6(10-15-9-5)8(12)14-4-2/h3-4H2,1-2H3

InChI Key

GWQHRMDHUWRYPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00244794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

214.18

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.718

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-1.36

Polar Surface Area

78.905

Acid Dissociation Constant (pKa)

30.24

Base Dissociation Constant (pKb)

-13.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8017-3613 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-3613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3613?
Check Price and Availability of 8017-3613, 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 8017-3613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3613
  • 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 8017-3613 available by request