3211-0052 Screening compound: {4-[(acetyloxy)methyl]-3,6-dimethyl-2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}methyl acetate

3211-0052 Screening compound: {4-[(acetyloxy)methyl]-3,6-dimethyl-2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}methyl acetate
3211-0052 Screening compound: {4-[(acetyloxy)methyl]-3,6-dimethyl-2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3211-0052
{4-[(acetyloxy)methyl]-3,6-dimethyl-2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}methyl acetate

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

3211-0052

Molecular Formula

C12H18N4O6 (C12 H18 N4 O6)

Compound Name

{4-[(acetyloxy)methyl]-3,6-dimethyl-2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}methyl acetate

IUPAC name

{4-[(acetyloxy)methyl]-36-dimethyl-25-dioxo-octahydro-[13]diazolo[45-d]imidazol-1-yl}methyl acetate

SMILES

CC(OCN(C(C(N1C)N2COC(C)=O)N(C)C2=O)C1=O)=O

InChI

InChI=1S/C12H18N4O6/c1-7(17)21-5-15-9-10(14(4)11(15)19)16(6-22-8(2)18)12(20)13(9)3/h9-10H,5-6H2,1-4H3

InChI Key

PWTCKBVRODFCIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.293

Distribution Coefficient, logD

-0.293

Water Solubility, LogSw

0.16

Polar Surface Area

80.681

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

3211-0052 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3211-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3211-0052?
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What is the minimum amount of 3211-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3211-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3211-0052
  • 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 3211-0052 available by request