Y021-0966 Screening compound: 6-[(4-benzylpiperidino)methyl]-4,4,9-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione

Y021-0966 Screening compound: 6-[(4-benzylpiperidino)methyl]-4,4,9-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Y021-0966 Screening compound: 6-[(4-benzylpiperidino)methyl]-4,4,9-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0966
6-[(4-benzylpiperidino)methyl]-4,4,9-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-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

Y021-0966

Molecular Formula

C27H30N2O2 (C27 H30 N2 O2)

Compound Name

6-[(4-benzylpiperidino)methyl]-4,4,9-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione

IUPAC name

9-[(4-benzylpiperidin-1-yl)methyl]-51111-trimethyl-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)579-tetraene-23-dione

SMILES

CC(C)(C=C(CN1CCC(Cc2ccccc2)CC1)c1ccc(C)c(C2=O)c11)N1C2=O

InChI

InChI=1S/C27H30N2O2/c1-18-9-10-22-21(16-27(2,3)29-24(22)23(18)25(30)26(29)31)17-28-13-11-20(12-14-28)15-19-7-5-4-6-8-19/h4-10,16,20H,11-15,17H2,1-3H3

InChI Key

FGLZZGCFDRDTNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30713365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.152

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-5.25

Polar Surface Area

33.300

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

Y021-0966 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y021-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0966
  • 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 Y021-0966 available by request