8013-5327 Screening compound: 2-((E)-1-{2-[2-(acetylamino)-3-(2-{amino[(Z)-2-oxido-2-oxodiazan-2-iumylidene]methyl}hydrazino)-3-oxopropanoyl]hydrazino}-1-aminomethylidene)-1-oxo-1-hydraziniumolate

8013-5327 Screening compound: 2-((E)-1-{2-[2-(acetylamino)-3-(2-{amino[(Z)-2-oxido-2-oxodiazan-2-iumylidene]methyl}hydrazino)-3-oxopropanoyl]hydrazino}-1-aminomethylidene)-1-oxo-1-hydraziniumolate
8013-5327 Screening compound: 2-((E)-1-{2-[2-(acetylamino)-3-(2-{amino[(Z)-2-oxido-2-oxodiazan-2-iumylidene]methyl}hydrazino)-3-oxopropanoyl]hydrazino}-1-aminomethylidene)-1-oxo-1-hydraziniumolate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5327
2-((E)-1-{2-[2-(acetylamino)-3-(2-{amino[(Z)-2-oxido-2-oxodiazan-2-iumylidene]methyl}hydrazino)-3-oxopropanoyl]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

8013-5327

Molecular Formula

C7H13N11O7 (C7 H13 N11 O7)

Compound Name

2-((E)-1-{2-[2-(acetylamino)-3-(2-{amino[(Z)-2-oxido-2-oxodiazan-2-iumylidene]methyl}hydrazino)-3-oxopropanoyl]hydrazino}-1-aminomethylidene)-1-oxo-1-hydraziniumolate

IUPAC name

N-({N'-[(E)-N'-nitrocarbamimidoyl]hydrazinecarbonyl}({N'-[(Z)-N'-nitrocarbamimidoyl]hydrazinecarbonyl})methyl)acetamide

SMILES

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

InChI

InChI=1S/C7H13N11O7/c1-2(19)10-3(4(20)11-13-6(8)15-17(22)23)5(21)12-14-7(9)16-18(24)25/h3H,1H3,(H,10,19)(H,11,20)(H,12,21)(H3,8,13,15)(H3,9,14,16)

InChI Key

MEHFNRAYDNIRRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.25

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

9.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

-5.408

Distribution Coefficient, logD

-5.513

Water Solubility, LogSw

-1.11

Polar Surface Area

232.928

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8013-5327 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 8013-5327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5327?
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What is the minimum amount of 8013-5327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5327
  • 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 8013-5327 available by request