Y020-0978 Screening compound: 2-amino-4',4',6',7,8'-pentamethyl-2',5-dioxo-4'H,5H-spiro[pyrano[4,3-b]pyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile

Y020-0978 Screening compound: 2-amino-4',4',6',7,8'-pentamethyl-2',5-dioxo-4'H,5H-spiro[pyrano[4,3-b]pyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Y020-0978 Screening compound: 2-amino-4',4',6',7,8'-pentamethyl-2',5-dioxo-4'H,5H-spiro[pyrano[4,3-b]pyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0978
2-amino-4',4',6',7,8'-pentamethyl-2',5-dioxo-4'H,5H-spiro[pyrano[4,3-b]pyran-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

Y020-0978

Molecular Formula

C24H21N3O4 (C24 H21 N3 O4)

Compound Name

2-amino-4',4',6',7,8'-pentamethyl-2',5-dioxo-4'H,5H-spiro[pyrano[4,3-b]pyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile

IUPAC name

2-amino-5'5'77'10'-pentamethyl-3'5-dioxo-5H-4'-azaspiro[pyrano[32-c]pyran-42'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')6'8'(12')9'-tetraene-3-carbonitrile

SMILES

CC1(C)N(C(C23C(C#N)=C(N)OC(C=C(C)O4)=C2C4=O)=O)c2c3cc(C)cc2C(C)=C1

InChI

InChI=1S/C24H21N3O4/c1-11-6-14-12(2)9-23(4,5)27-19(14)15(7-11)24(22(27)29)16(10-25)20(26)31-17-8-13(3)30-21(28)18(17)24/h6-9H,26H2,1-5H3/t24-/m1/s1

InChI Key

SNGDQABPWFOMGT-XMMPIXPASA-N

MDL Number (MFCD)

MFCD04157414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.032

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.45

Polar Surface Area

85.343

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

Y020-0978 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0978?
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What is the minimum amount of Y020-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0978
  • 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 Y020-0978 available by request