J099-0074 Screening compound: 5-[(4-benzylpiperazino)carbonyl]-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one

J099-0074 Screening compound: 5-[(4-benzylpiperazino)carbonyl]-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one
J099-0074 Screening compound: 5-[(4-benzylpiperazino)carbonyl]-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J099-0074
5-[(4-benzylpiperazino)carbonyl]-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-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

J099-0074

Molecular Formula

C23H23N3O2 (C23 H23 N3 O2)

Compound Name

5-[(4-benzylpiperazino)carbonyl]-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one

IUPAC name

10-(4-benzylpiperazine-1-carbonyl)-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)10-tetraen-9-one

SMILES

O=C(C1=CN(CCc2ccc3)c2c3C1=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H23N3O2/c27-22-19-8-4-7-18-9-10-26(21(18)19)16-20(22)23(28)25-13-11-24(12-14-25)15-17-5-2-1-3-6-17/h1-8,16H,9-15H2

InChI Key

RTSOZNKQNAMNAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.247

Distribution Coefficient, logD

2.226

Water Solubility, LogSw

-2.90

Polar Surface Area

37.437

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

J099-0074 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J099-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-0074?
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What is the minimum amount of J099-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-0074
  • 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 J099-0074 available by request