6235-0228 Screening compound: N'-[(E)-(4-butoxyphenyl)methylidene]-2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}acetohydrazide

6235-0228 Screening compound: N'-[(E)-(4-butoxyphenyl)methylidene]-2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}acetohydrazide
6235-0228 Screening compound: N'-[(E)-(4-butoxyphenyl)methylidene]-2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6235-0228
N'-[(E)-(4-butoxyphenyl)methylidene]-2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}acetohydrazide

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

6235-0228

Molecular Formula

C17H22N6O4 (C17 H22 N6 O4)

Compound Name

N'-[(E)-(4-butoxyphenyl)methylidene]-2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}acetohydrazide

IUPAC name

N'-[(E)-(4-butoxyphenyl)methylidene]-2-{25-dioxo-octahydro-[13]diazolo[45-d]imidazol-1-yl}acetohydrazide

SMILES

CCCCOc1ccc(/C=N/NC(CN(C(C(N2)N3)NC2=O)C3=O)=O)cc1

InChI

InChI=1S/C17H22N6O4/c1-2-3-8-27-12-6-4-11(5-7-12)9-18-22-13(24)10-23-15-14(20-17(23)26)19-16(25)21-15/h4-7,9,14-15H,2-3,8,10H2,1H3,(H,20,26)(H,22,24)(H2,19,21,25)

InChI Key

OWAPJVNUEKKBAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04239264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.084

Distribution Coefficient, logD

1.084

Water Solubility, LogSw

-2.30

Polar Surface Area

106.551

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 6235-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6235-0228?
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What is the minimum amount of 6235-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6235-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6235-0228
  • 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 6235-0228 available by request