S400-0036 Screening compound: 4-nitro[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-1,6-diium-1,6-diolate

S400-0036 Screening compound: 4-nitro[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-1,6-diium-1,6-diolate
S400-0036 Screening compound: 4-nitro[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-1,6-diium-1,6-diolate alternative view

Chemical Structure Depiction of ChemDiv screening compound S400-0036
4-nitro[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-1,6-diium-1,6-diolate

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

S400-0036

Molecular Formula

C6HN5O6 (C6 HN5 O6)

Compound Name

4-nitro[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-1,6-diium-1,6-diolate

IUPAC name

7-nitro-411-dioxa-351012-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(12)2579-pentaene-310-diium-310-bis(olate)

SMILES

[O-][N+](c1cc2[n+]([O-])onc2c2[n+]([O-])onc12)=O

InChI

InChI=1S/C6HN5O6/c12-9(13)2-1-3-5(8-16-10(3)14)6-4(2)7-17-11(6)15/h1H

InChI Key

UZZCSVAQNWFVQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00955727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.1

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.667

Distribution Coefficient, logD

0.667

Water Solubility, LogSw

-1.09

Polar Surface Area

116.079

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-10.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with S400-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S400-0036?
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What is the minimum amount of S400-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S400-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S400-0036
  • 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 S400-0036 available by request