4466-0235 Screening compound: 1,6-diacetyl-3,4-dimethyl-octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione

4466-0235 Screening compound: 1,6-diacetyl-3,4-dimethyl-octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione
4466-0235 Screening compound: 1,6-diacetyl-3,4-dimethyl-octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4466-0235
1,6-diacetyl-3,4-dimethyl-octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione

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

4466-0235

Molecular Formula

C10H14N4O4 (C10 H14 N4 O4)

Compound Name

1,6-diacetyl-3,4-dimethyl-octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione

IUPAC name

16-diacetyl-34-dimethyl-octahydro-[13]diazolo[45-d]imidazole-25-dione

SMILES

CC(N(C(C(N1C)N2C)N(C(C)=O)C2=O)C1=O)=O

InChI

InChI=1S/C10H14N4O4/c1-5(15)13-8-7(11(3)9(13)17)12(4)10(18)14(8)6(2)16/h7-8H,1-4H3

InChI Key

HXQWLCLDEMCFDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01988745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.653

Distribution Coefficient, logD

-1.653

Water Solubility, LogSw

0.15

Polar Surface Area

63.372

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

4466-0235 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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 4466-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4466-0235?
Check Price and Availability of 4466-0235, 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 4466-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4466-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4466-0235
  • 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 4466-0235 available by request