Y020-9873 Screening compound: 2-amino-4',4',6'-trimethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile

Y020-9873 Screening compound: 2-amino-4',4',6'-trimethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Y020-9873 Screening compound: 2-amino-4',4',6'-trimethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9873
2-amino-4',4',6'-trimethyl-2',5-dioxo-5,6,7,8-tetrahydro-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

Y020-9873

Molecular Formula

C23H21N3O3 (C23 H21 N3 O3)

Compound Name

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

IUPAC name

2-amino-5'5'7'-trimethyl-3'5-dioxo-5678-tetrahydro-4'-azaspiro[chromene-42'-tricyclo[6.3.1.0^{412}]dodecane]-1'(12')6'8'10'-tetraene-3-carbonitrile

SMILES

CC1(C)N(C(C23C(C#N)=C(N)OC(CCC4)=C2C4=O)=O)c2c3cccc2C(C)=C1

InChI

InChI=1S/C23H21N3O3/c1-12-10-22(2,3)26-19-13(12)6-4-7-14(19)23(21(26)28)15(11-24)20(25)29-17-9-5-8-16(27)18(17)23/h4,6-7,10H,5,8-9,25H2,1-3H3/t23-/m1/s1

InChI Key

QLNUEKFAHRWHDF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD28033891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

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

2.662

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-3.28

Polar Surface Area

76.057

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

Y020-9873 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-9873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9873?
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What is the minimum amount of Y020-9873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9873
  • 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 Y020-9873 available by request