Y020-6282 Screening compound: 2-amino-7-hydroxy-4',4',6',9'-tetramethyl-2'-oxo-5',6'-dihydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile

Y020-6282 Screening compound: 2-amino-7-hydroxy-4',4',6',9'-tetramethyl-2'-oxo-5',6'-dihydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Y020-6282 Screening compound: 2-amino-7-hydroxy-4',4',6',9'-tetramethyl-2'-oxo-5',6'-dihydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6282
2-amino-7-hydroxy-4',4',6',9'-tetramethyl-2'-oxo-5',6'-dihydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]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

Y020-6282

Molecular Formula

C24H23N3O3 (C24 H23 N3 O3)

Compound Name

2-amino-7-hydroxy-4',4',6',9'-tetramethyl-2'-oxo-5',6'-dihydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile

IUPAC name

2-amino-7-hydroxy-5'5'7'11'-tetramethyl-3'-oxo-4'-azaspiro[chromene-42'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')8'(12')9'-triene-3-carbonitrile

SMILES

CC(CC1(C)C)c2ccc(C)c(C34C(C#N)=C(N)Oc5c3ccc(O)c5)c2N1C4=O

InChI

InChI=1S/C24H23N3O3/c1-12-5-7-15-13(2)10-23(3,4)27-20(15)19(12)24(22(27)29)16-8-6-14(28)9-18(16)30-21(26)17(24)11-25/h5-9,13,28H,10,26H2,1-4H3

InChI Key

OMOPLUHUKHTSKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04158904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

3.381

Water Solubility, LogSw

-3.70

Polar Surface Area

80.365

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

Y020-6282 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y020-6282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6282?
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What is the minimum amount of Y020-6282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6282
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y020-6282 available by request