8009-4871 Screening compound: 2-methylpropyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 8009-4871
2-methylpropyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate
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
8009-4871
Molecular Formula
C17H19NO5 (C17 H19 NO5)
Compound Name
2-methylpropyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate
IUPAC name
2-methylpropyl 3a8b-dihydroxy-2-methyl-4-oxo-1H3aH4H8bH-indeno[12-b]pyrrole-3-carboxylate
SMILES
CC(C)COC(C(C1(C(c2c3cccc2)=O)O)=C(C)NC13O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
317.34
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.939
Distribution Coefficient, logD
1.918
Water Solubility, LogSw
-2.71
Polar Surface Area
77.519
Acid Dissociation Constant (pKa)
8.71
Base Dissociation Constant (pKb)
3.26
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
41.20
8009-4871 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiparasite Library (23996 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Infections
- Immune system
- animal
- Agro
References: we are preparing a list of scientific research reports with 8009-4871 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)