Y020-7836 Screening compound: 6',6'-dimethyl-2,3,4,5',6',9-hexahydrodispiro[beta-carboline-1,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclohexan]-2'-one

Y020-7836 Screening compound: 6',6'-dimethyl-2,3,4,5',6',9-hexahydrodispiro[beta-carboline-1,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclohexan]-2'-one
Y020-7836 Screening compound: 6',6'-dimethyl-2,3,4,5',6',9-hexahydrodispiro[beta-carboline-1,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclohexan]-2'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7836
6',6'-dimethyl-2,3,4,5',6',9-hexahydrodispiro[beta-carboline-1,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclohexan]-2'-one

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

Y020-7836

Molecular Formula

C28H31N3O (C28 H31 N3 O)

Compound Name

6',6'-dimethyl-2,3,4,5',6',9-hexahydrodispiro[beta-carboline-1,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclohexan]-2'-one

IUPAC name

7'7'-dimethyl-2''3''4''9''-tetrahydrodispiro[cyclohexane-15'-[4]azatricyclo[6.3.1.0^{412}]dodecane-2'1''-pyrido[34-b]indole]-1'(11')8'(12')9'-trien-3'-one

SMILES

CC(C)(CC12CCCCC2)c2cccc(C34NCCc5c4[nH]c4c5cccc4)c2N1C3=O

InChI

InChI=1S/C28H31N3O/c1-26(2)17-27(14-6-3-7-15-27)31-23-20(26)10-8-11-21(23)28(25(31)32)24-19(13-16-29-28)18-9-4-5-12-22(18)30-24/h4-5,8-12,29-30H,3,6-7,13-17H2,1-2H3/t28-/m0/s1

InChI Key

JFCNLEUEUKFFGN-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD08087979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

0.245

Water Solubility, LogSw

-5.07

Polar Surface Area

39.508

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

12.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

Y020-7836 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-7836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7836?
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What is the minimum amount of Y020-7836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7836
  • 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 Y020-7836 available by request