Y020-7832 Screening compound: 2''-amino-6',6',7''-trimethyl-2',5''-dioxo-5',6'-dihydro-5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-3''-carbonitrile

Y020-7832 Screening compound: 2''-amino-6',6',7''-trimethyl-2',5''-dioxo-5',6'-dihydro-5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-3''-carbonitrile
Y020-7832 Screening compound: 2''-amino-6',6',7''-trimethyl-2',5''-dioxo-5',6'-dihydro-5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-3''-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7832
2''-amino-6',6',7''-trimethyl-2',5''-dioxo-5',6'-dihydro-5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-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

Y020-7832

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

2''-amino-6',6',7''-trimethyl-2',5''-dioxo-5',6'-dihydro-5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-3''-carbonitrile

IUPAC name

2''-amino-7'7'7''-trimethyl-3'5''-dioxo-5''H-dispiro[cyclohexane-15'-[4]azatricyclo[6.3.1.0^{412}]dodecane-2'4''-pyrano[32-c]pyran]-1'(11')8'(12')9'-triene-3''-carbonitrile

SMILES

CC(C)(CC12CCCCC2)c2cccc(C34C(C#N)=C(N)OC(C=C(C)O5)=C3C5=O)c2N1C4=O

InChI

InChI=1S/C27H27N3O4/c1-15-12-19-20(23(31)33-15)27(18(13-28)22(29)34-19)17-9-7-8-16-21(17)30(24(27)32)26(14-25(16,2)3)10-5-4-6-11-26/h7-9,12H,4-6,10-11,14,29H2,1-3H3/t27-/m1/s1

InChI Key

NTCSXOIVCVVQFY-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD08087968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

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

3.783

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.18

Polar Surface Area

85.625

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

Y020-7832 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y020-7832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7832?
Check Price and Availability of Y020-7832, 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 Y020-7832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7832
  • 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 Y020-7832 available by request