G211-0146 Screening compound: 2-cyclohexyl-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H,2H,3H-pyrrolo[3,4-b]quinolin-3-one
Chemical Structure Depiction of ChemDiv screening compound G211-0146
2-cyclohexyl-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H,2H,3H-pyrrolo[3,4-b]quinolin-3-one
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
G211-0146
Molecular Formula
C27H28N4O4 (C27 H28 N4 O4)
Compound Name
2-cyclohexyl-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H,2H,3H-pyrrolo[3,4-b]quinolin-3-one
IUPAC name
2-cyclohexyl-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H2H3H-pyrrolo[34-b]quinolin-3-one
SMILES
O=C(c1ccco1)N(CC1)CCN1C(c1c(CN(C2CCCCC2)C2=O)c2nc2ccccc12)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
472.54
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.175
Distribution Coefficient, logD
3.175
Water Solubility, LogSw
-3.14
Polar Surface Area
67.147
Acid Dissociation Constant (pKa)
17.38
Base Dissociation Constant (pKb)
-0.39
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.70
G211-0146 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Antimitotic Tubulin Library (17355 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Antiviral
- Infections
- Immune system
- Eye
- GPCR
- Ion Channels
- Receptor's ligands
References: we are preparing a list of scientific research reports with G211-0146 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)