6319-5250 Screening compound: (Z)-[amino(3-nitrophenyl)methylidene]amino 2H-1,3-benzodioxole-5-carboxylate

6319-5250 Screening compound: (Z)-[amino(3-nitrophenyl)methylidene]amino 2H-1,3-benzodioxole-5-carboxylate
6319-5250 Screening compound: (Z)-[amino(3-nitrophenyl)methylidene]amino 2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6319-5250
(Z)-[amino(3-nitrophenyl)methylidene]amino 2H-1,3-benzodioxole-5-carboxylate

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

6319-5250

Molecular Formula

C15H11N3O6 (C15 H11 N3 O6)

Compound Name

(Z)-[amino(3-nitrophenyl)methylidene]amino 2H-1,3-benzodioxole-5-carboxylate

IUPAC name

(Z)-[amino(3-nitrophenyl)methylidene]amino 2H-13-benzodioxole-5-carboxylate

SMILES

N/C(/c1cccc([N+]([O-])=O)c1)=N\OC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C15H11N3O6/c16-14(9-2-1-3-11(6-9)18(20)21)17-24-15(19)10-4-5-12-13(7-10)23-8-22-12/h1-7H,8H2,(H2,16,17)

InChI Key

BEOZHZRIKWOEMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03995951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.326

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-2.76

Polar Surface Area

102.606

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

6319-5250 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6319-5250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6319-5250?
Check Price and Availability of 6319-5250, 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 6319-5250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6319-5250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6319-5250
  • 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 6319-5250 available by request