Y021-0968 Screening compound: ethyl 1-[(4,4,9-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]-3-piperidinecarboxylate

Y021-0968 Screening compound: ethyl 1-[(4,4,9-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]-3-piperidinecarboxylate
Y021-0968 Screening compound: ethyl 1-[(4,4,9-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0968
ethyl 1-[(4,4,9-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]-3-piperidinecarboxylate

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

Y021-0968

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

ethyl 1-[(4,4,9-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl)methyl]-3-piperidinecarboxylate

IUPAC name

ethyl 1-({51111-trimethyl-23-dioxo-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)579-tetraen-9-yl}methyl)piperidine-3-carboxylate

SMILES

CCOC(C1CN(CC(c2ccc(C)c(C3=O)c22)=CC(C)(C)N2C3=O)CCC1)=O

InChI

InChI=1S/C23H28N2O4/c1-5-29-22(28)15-7-6-10-24(12-15)13-16-11-23(3,4)25-19-17(16)9-8-14(2)18(19)20(26)21(25)27/h8-9,11,15H,5-7,10,12-13H2,1-4H3/t15-/m0/s1

InChI Key

NQIFOPXGLVIVLQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30713367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

2.571

Water Solubility, LogSw

-3.16

Polar Surface Area

54.259

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

Y021-0968 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 Y021-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0968?
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What is the minimum amount of Y021-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0968
  • 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 Y021-0968 available by request