6235-0214 Screening compound: 2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}-N'-[(E)-(3-methoxyphenyl)methylidene]acetohydrazide

6235-0214 Screening compound: 2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}-N'-[(E)-(3-methoxyphenyl)methylidene]acetohydrazide
6235-0214 Screening compound: 2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}-N'-[(E)-(3-methoxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6235-0214
2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}-N'-[(E)-(3-methoxyphenyl)methylidene]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

6235-0214

Molecular Formula

C14H16N6O4 (C14 H16 N6 O4)

Compound Name

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

IUPAC name

2-{25-dioxo-octahydro-[13]diazolo[45-d]imidazol-1-yl}-N'-[(E)-(3-methoxyphenyl)methylidene]acetohydrazide

SMILES

COc1cccc(/C=N/NC(CN(C(C(N2)N3)NC2=O)C3=O)=O)c1

InChI

InChI=1S/C14H16N6O4/c1-24-9-4-2-3-8(5-9)6-15-19-10(21)7-20-12-11(17-14(20)23)16-13(22)18-12/h2-6,11-12H,7H2,1H3,(H,17,23)(H,19,21)(H2,16,18,22)

InChI Key

UCEKYRKOPJWGDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04239250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.225

Distribution Coefficient, logD

-0.225

Water Solubility, LogSw

-2.06

Polar Surface Area

106.677

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

6235-0214 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6235-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6235-0214?
Check Price and Availability of 6235-0214, 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 6235-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6235-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6235-0214
  • 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 6235-0214 available by request