8014-9452 Screening compound: 4H,5H-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-one

8014-9452 Screening compound: 4H,5H-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-one
8014-9452 Screening compound: 4H,5H-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9452
4H,5H-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-one

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

8014-9452

Molecular Formula

C8H5N5O (C8 H5 N5 O)

Compound Name

4H,5H-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-one

IUPAC name

4H5H-[1234]tetrazolo[15-a]quinoxalin-4-one

SMILES

O=C1Nc(cccc2)c2-n2nnnc12

InChI

InChI=1S/C8H5N5O/c14-8-7-10-11-12-13(7)6-4-2-1-3-5(6)9-8/h1-4H,(H,9,14)

InChI Key

SECOVEPJEIBBPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

187.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.493

Distribution Coefficient, logD

0.234

Water Solubility, LogSw

-1.92

Polar Surface Area

63.816

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8014-9452 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8014-9452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9452?
Check Price and Availability of 8014-9452, 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 8014-9452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9452
  • 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 8014-9452 available by request