D063-1167 Screening compound: 2-(2-hydroxyethyl)-1'-methyl-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9(1'H)-trione
Chemical Structure Depiction of ChemDiv screening compound D063-1167
2-(2-hydroxyethyl)-1'-methyl-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9(1'H)-trione
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
D063-1167
Molecular Formula
C21H16N2O5 (C21 H16 N2 O5)
Compound Name
2-(2-hydroxyethyl)-1'-methyl-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9(1'H)-trione
IUPAC name
2-(2-hydroxyethyl)-1'-methyl-1'2'39-tetrahydro-2H-spiro[chromeno[23-c]pyrrole-13'-indole]-2'39-trione
SMILES
CN(C(C1(C2=C3Oc(cccc4)c4C2=O)N(CCO)C3=O)=O)c2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
376.37
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.323
Distribution Coefficient, logD
1.323
Water Solubility, LogSw
-2.27
Polar Surface Area
68.578
Acid Dissociation Constant (pKa)
15.18
Base Dissociation Constant (pKb)
-1.79
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
19.05
D063-1167 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-infective Library (19449 compounds)
Antiparasite Library (23996 compounds)
Antiviral Annotated Library (21441 compounds)
Cysteine Proteases Inhibitors Library (7839 compounds)
Dark Chemical Matter Library (18430 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Akt-Targeted Library (14764 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Cyclic compounds
- Cyclic compounds
- Infections
- Immune system
- animal
- Infections
- Immune system
- animal
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Cardiovascular
- Skin
- Metabolic
- Endocrine
- Immune system
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Agro
- Proteases
- Others
- Kinases
- Epigenetic
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with D063-1167 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)