8011-3194 Screening compound: 5-methoxy-2,1,3-benzoxadiazol-1-ium-1-olate

8011-3194 Screening compound: 5-methoxy-2,1,3-benzoxadiazol-1-ium-1-olate
8011-3194 Screening compound: 5-methoxy-2,1,3-benzoxadiazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-3194
5-methoxy-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

8011-3194

Molecular Formula

C7H6N2O3 (C7 H6 N2 O3)

Compound Name

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

IUPAC name

5-methoxy-213-benzoxadiazol-1-ium-1-olate

SMILES

COc1cc2no[n+]([O-])c2cc1

InChI

InChI=1S/C7H6N2O3/c1-11-5-2-3-7-6(4-5)8-12-9(7)10/h2-4H,1H3

InChI Key

ABSKHUSUHODMEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00068052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

166.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.457

Distribution Coefficient, logD

1.457

Water Solubility, LogSw

-1.73

Polar Surface Area

48.504

Acid Dissociation Constant (pKa)

32.83

Base Dissociation Constant (pKb)

-6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8011-3194 in Drug Discovery

Included in Screening Libraries

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 8011-3194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3194?
Check Price and Availability of 8011-3194, 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 8011-3194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3194
  • 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 8011-3194 available by request