3463-0008 Screening compound: 5-carboxy-2,1,3-benzoxadiazol-1-ium-1-olate

3463-0008 Screening compound: 5-carboxy-2,1,3-benzoxadiazol-1-ium-1-olate
3463-0008 Screening compound: 5-carboxy-2,1,3-benzoxadiazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3463-0008
5-carboxy-2,1,3-benzoxadiazol-1-ium-1-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

3463-0008

Molecular Formula

C7H4N2O4 (C7 H4 N2 O4)

Compound Name

5-carboxy-2,1,3-benzoxadiazol-1-ium-1-olate

IUPAC name

5-carboxy-213-benzoxadiazol-1-ium-1-olate

SMILES

[O-][n+]1c(ccc(C(O)=O)c2)c2no1

InChI

InChI=1S/C7H4N2O4/c10-7(11)4-1-2-6-5(3-4)8-13-9(6)12/h1-3H,(H,10,11)

InChI Key

AXRCJZJVVZUOHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00068056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

180.12

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.377

Distribution Coefficient, logD

-0.704

Water Solubility, LogSw

-1.69

Polar Surface Area

69.368

Acid Dissociation Constant (pKa)

5.32

Base Dissociation Constant (pKb)

-7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3463-0008 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3463-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3463-0008?
Check Price and Availability of 3463-0008, 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 3463-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3463-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3463-0008
  • 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 3463-0008 available by request