Y020-6134 Screening compound: 4,4,6-trimethyl-5,6-dihydro-1'H,4H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-quinazoline]-2,4'(3'H)-dione

Y020-6134 Screening compound: 4,4,6-trimethyl-5,6-dihydro-1'H,4H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-quinazoline]-2,4'(3'H)-dione
Y020-6134 Screening compound: 4,4,6-trimethyl-5,6-dihydro-1'H,4H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-quinazoline]-2,4'(3'H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6134
4,4,6-trimethyl-5,6-dihydro-1'H,4H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-quinazoline]-2,4'(3'H)-dione

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

Y020-6134

Molecular Formula

C21H21N3O2 (C21 H21 N3 O2)

Compound Name

4,4,6-trimethyl-5,6-dihydro-1'H,4H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-quinazoline]-2,4'(3'H)-dione

IUPAC name

5'5'7'-trimethyl-34-dihydro-1H-4'-azaspiro[quinazoline-22'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')8'(12')9'-triene-3'4-dione

SMILES

CC(CC1(C)C)c2cccc(C3(Nc4c5cccc4)NC5=O)c2N1C3=O

InChI

InChI=1S/C21H21N3O2/c1-12-11-20(2,3)24-17-13(12)8-6-9-15(17)21(19(24)26)22-16-10-5-4-7-14(16)18(25)23-21/h4-10,12,22H,11H2,1-3H3,(H,23,25)

InChI Key

FMKAEQWUDYPHGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08132793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.57

Polar Surface Area

53.637

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

Y020-6134 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with Y020-6134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6134?
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What is the minimum amount of Y020-6134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6134
  • 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 Y020-6134 available by request