Y020-1663 Screening compound: 2'-amino-1-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
Chemical Structure Depiction of ChemDiv screening compound Y020-1663
2'-amino-1-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
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
Y020-1663
Molecular Formula
C21H14N4O3 (C21 H14 N4 O3)
Compound Name
2'-amino-1-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
IUPAC name
2'-amino-1-methyl-25'-dioxo-125'6'-tetrahydrospiro[indole-34'-pyrano[32-c]quinoline]-3'-carbonitrile
SMILES
CN(C(C12C(C#N)=C(N)OC(c(cccc3)c3N3)=C1C3=O)=O)c1c2cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
370.37
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.614
Distribution Coefficient, logD
1.614
Water Solubility, LogSw
-2.37
Polar Surface Area
87.162
Acid Dissociation Constant (pKa)
12.12
Base Dissociation Constant (pKb)
1.19
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
9.50
Y020-1663 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with Y020-1663 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)