2083-0255 Screening compound: (1Z)-N1-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine

2083-0255 Screening compound: (1Z)-N1-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine
2083-0255 Screening compound: (1Z)-N1-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-0255
(1Z)-N1-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine

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

2083-0255

Molecular Formula

C9H7N7O4 (C9 H7 N7 O4)

Compound Name

(1Z)-N1-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine

IUPAC name

(1Z)-N1-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]-1H-1234-tetrazole-15-diamine

SMILES

Nc1nnnn1/N=C\c(cc1OCOc1c1)c1[N+]([O-])=O

InChI

InChI=1S/C9H7N7O4/c10-9-12-13-14-15(9)11-3-5-1-7-8(20-4-19-7)2-6(5)16(17)18/h1-3H,4H2,(H2,10,12,14)

InChI Key

SSPAEDWUZRTUDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01347051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.2

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.202

Distribution Coefficient, logD

0.202

Water Solubility, LogSw

-1.35

Polar Surface Area

119.995

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2083-0255 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2083-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-0255?
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What is the minimum amount of 2083-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-0255
  • 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 2083-0255 available by request