Y020-0984 Screening compound: 2-amino-7,7-dimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile

Y020-0984 Screening compound: 2-amino-7,7-dimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Y020-0984 Screening compound: 2-amino-7,7-dimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0984
2-amino-7,7-dimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-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

Y020-0984

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

2-amino-7,7-dimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile

IUPAC name

2-amino-77-dimethyl-3'5-dioxo-5678-tetrahydro-4'-azaspiro[chromene-42'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')8'(12')9'-triene-3-carbonitrile

SMILES

CC(C)(C1)CC(OC(N)=C(C2(c3c4N5CCCc4ccc3)C5=O)C#N)=C2C1=O

InChI

InChI=1S/C22H21N3O3/c1-21(2)9-15(26)17-16(10-21)28-19(24)14(11-23)22(17)13-7-3-5-12-6-4-8-25(18(12)13)20(22)27/h3,5,7H,4,6,8-10,24H2,1-2H3/t22-/m1/s1

InChI Key

BWJPNWHWJVDDSU-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04192826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.134

Distribution Coefficient, logD

2.134

Water Solubility, LogSw

-2.79

Polar Surface Area

76.928

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

Y020-0984 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 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

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y020-0984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0984?
Check Price and Availability of Y020-0984, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y020-0984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0984
  • 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 Y020-0984 available by request