Y020-2586 Screening compound: 4,4,6-trimethyl-1'H,4H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-quinazoline]-2,4'(3'H)-dione
Chemical Structure Depiction of ChemDiv screening compound Y020-2586
4,4,6-trimethyl-1'H,4H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-quinazoline]-2,4'(3'H)-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
Y020-2586
Molecular Formula
C21H19N3O2 (C21 H19 N3 O2)
Compound Name
4,4,6-trimethyl-1'H,4H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-quinazoline]-2,4'(3'H)-dione
IUPAC name
5'5'7'-trimethyl-34-dihydro-1H-4'-azaspiro[quinazoline-22'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')6'8'(12')9'-tetraene-3'4-dione
SMILES
CC1(C)N(C(C2(Nc3c4cccc3)NC4=O)=O)c3c2cccc3C(C)=C1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
345.4
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.262
Distribution Coefficient, logD
3.258
Water Solubility, LogSw
-3.82
Polar Surface Area
53.637
Acid Dissociation Constant (pKa)
9.44
Base Dissociation Constant (pKb)
-2.01
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
23.80
Y020-2586 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Cancer
- Agro
- Agro
- Others
- Epigenetic
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with Y020-2586 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)