Y020-1338 Screening compound: 2-amino-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile

Y020-1338 Screening compound: 2-amino-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Y020-1338 Screening compound: 2-amino-4',4',6',7,7-pentamethyl-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 Y020-1338
2-amino-4',4',6',7,7-pentamethyl-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

Y020-1338

Molecular Formula

C25H25N3O3 (C25 H25 N3 O3)

Compound Name

2-amino-4',4',6',7,7-pentamethyl-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-5'5'777'-pentamethyl-3'5-dioxo-5678-tetrahydro-4'-azaspiro[chromene-42'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')6'8'(12')9'-tetraene-3-carbonitrile

SMILES

CC(C)(C1)CC(OC(N)=C(C2(c3c4N5C(C)(C)C=C(C)c4ccc3)C5=O)C#N)=C2C1=O

InChI

InChI=1S/C25H25N3O3/c1-13-9-24(4,5)28-20-14(13)7-6-8-15(20)25(22(28)30)16(12-26)21(27)31-18-11-23(2,3)10-17(29)19(18)25/h6-9H,10-11,27H2,1-5H3/t25-/m1/s1

InChI Key

OEAFLJIYCQNYCE-RUZDIDTESA-N

MDL Number (MFCD)

MFCD06591203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

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

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.74

Polar Surface Area

76.057

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y020-1338 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with Y020-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1338?
Check Price and Availability of Y020-1338, 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 Y020-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1338
  • 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 Y020-1338 available by request