E461-0196 Screening compound: methyl 2-{8-[(furan-2-yl)methyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetate
Chemical Structure Depiction of ChemDiv screening compound E461-0196
methyl 2-{8-[(furan-2-yl)methyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}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
E461-0196
Molecular Formula
C16H17N5O5 (C16 H17 N5 O5)
Compound Name
methyl 2-{8-[(furan-2-yl)methyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetate
IUPAC name
methyl 2-{8-[(furan-2-yl)methyl]-1-methyl-24-dioxo-1H2H3H4H6H7H8H-imidazo[12-g]purin-3-yl}acetate
SMILES
CN(c1c(C(N2CC(OC)=O)=O)n(CCN3Cc4ccco4)c3n1)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
359.34
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
0.978
Distribution Coefficient, logD
0.884
Water Solubility, LogSw
-1.59
Polar Surface Area
74.194
Acid Dissociation Constant (pKa)
21.78
Base Dissociation Constant (pKb)
6.78
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
37.50
E461-0196 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
DGK Inhibitors Library (10558 compounds)
Akt-Targeted Library (14764 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
- Kinases
- Agro
References: we are preparing a list of scientific research reports with E461-0196 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)