8006-9526 Screening compound: 2-[(E)-1-(1-(1-acetyl-2-oxopropyl)-2-{amino[(E)-2-oxido-2-oxodiazan-2-iumylidene]methyl}hydrazino)-1-aminomethylidene]-1-oxo-1-hydraziniumolate

8006-9526 Screening compound: 2-[(E)-1-(1-(1-acetyl-2-oxopropyl)-2-{amino[(E)-2-oxido-2-oxodiazan-2-iumylidene]methyl}hydrazino)-1-aminomethylidene]-1-oxo-1-hydraziniumolate
8006-9526 Screening compound: 2-[(E)-1-(1-(1-acetyl-2-oxopropyl)-2-{amino[(E)-2-oxido-2-oxodiazan-2-iumylidene]methyl}hydrazino)-1-aminomethylidene]-1-oxo-1-hydraziniumolate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9526
2-[(E)-1-(1-(1-acetyl-2-oxopropyl)-2-{amino[(E)-2-oxido-2-oxodiazan-2-iumylidene]methyl}hydrazino)-1-aminomethylidene]-1-oxo-1-hydraziniumolate

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

8006-9526

Molecular Formula

C7H12N8O6 (C7 H12 N8 O6)

Compound Name

2-[(E)-1-(1-(1-acetyl-2-oxopropyl)-2-{amino[(E)-2-oxido-2-oxodiazan-2-iumylidene]methyl}hydrazino)-1-aminomethylidene]-1-oxo-1-hydraziniumolate

IUPAC name

(E)-N-(24-dioxopentan-3-yl)-N''-nitro-N-[(E)-N''-nitrocarbamimidamido]guanidine

SMILES

CC(C(C(C)=O)N(/C(/N)=N/[N+]([O-])=O)N/C(/N)=N/[N+]([O-])=O)=O

InChI

InChI=1S/C7H12N8O6/c1-3(16)5(4(2)17)13(7(9)12-15(20)21)10-6(8)11-14(18)19/h5H,1-2H3,(H2,9,12)(H3,8,10,11)

InChI Key

HAJLDQWNTIIAFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00769766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.22

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

-2.558

Distribution Coefficient, logD

-6.396

Water Solubility, LogSw

-1.06

Polar Surface Area

171.709

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

8006-9526 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8006-9526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9526?
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What is the minimum amount of 8006-9526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9526
  • 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 8006-9526 available by request