D658-0395 Screening compound: 2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of ChemDiv screening compound D658-0395
2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
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
D658-0395
Molecular Formula
C29H36N2O5 (C29 H36 N2 O5)
Compound Name
2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
IUPAC name
2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-propoxyphenyl)-67-dimethyl-1H2H3H9H-chromeno[23-c]pyrrole-39-dione
SMILES
CCCOc(ccc(C(C1=C2Oc(cc(C)c(C)c3)c3C1=O)N(CCCN(C)C)C2=O)c1)c1OCC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
492.62
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.756
Distribution Coefficient, logD
2.808
Water Solubility, LogSw
-4.45
Polar Surface Area
55.563
Acid Dissociation Constant (pKa)
18.11
Base Dissociation Constant (pKb)
9.34
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
44.80
D658-0395 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Library (67538 compounds)
Cysteine Proteases Inhibitors Library (7839 compounds)
Dark Chemical Matter Library (18430 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
- Antiviral
- Infections
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Cardiovascular
- Skin
- Metabolic
- Endocrine
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with D658-0395 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)