Y020-6319 Screening compound: 2-amino-7-hydroxy-4',4',6',8',9'-pentamethyl-2'-oxo-5',6'-dihydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile

Y020-6319 Screening compound: 2-amino-7-hydroxy-4',4',6',8',9'-pentamethyl-2'-oxo-5',6'-dihydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Y020-6319 Screening compound: 2-amino-7-hydroxy-4',4',6',8',9'-pentamethyl-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 Y020-6319
2-amino-7-hydroxy-4',4',6',8',9'-pentamethyl-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

Y020-6319

Molecular Formula

C25H25N3O3 (C25 H25 N3 O3)

Compound Name

2-amino-7-hydroxy-4',4',6',8',9'-pentamethyl-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-5'5'7'10'11'-pentamethyl-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)c2cc(C)c(C)c(C34C(C#N)=C(N)Oc5c3ccc(O)c5)c2N1C4=O

InChI

InChI=1S/C25H25N3O3/c1-12-8-16-13(2)10-24(4,5)28-21(16)20(14(12)3)25(23(28)30)17-7-6-15(29)9-19(17)31-22(27)18(25)11-26/h6-9,13,29H,10,27H2,1-5H3

InChI Key

YWOLAHMVVJUZAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04155414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

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

3.865

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-4.29

Polar Surface Area

80.365

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

Y020-6319 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 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
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y020-6319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6319?
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What is the minimum amount of Y020-6319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6319
  • 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 Y020-6319 available by request