J099-0071 Screening compound: 5-(1-azepanylcarbonyl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one

J099-0071 Screening compound: 5-(1-azepanylcarbonyl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one
J099-0071 Screening compound: 5-(1-azepanylcarbonyl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J099-0071
5-(1-azepanylcarbonyl)-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

J099-0071

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1=CN(CCc2ccc3)c2c3C1=O)N1CCCCCC1

InChI

InChI=1S/C18H20N2O2/c21-17-14-7-5-6-13-8-11-20(16(13)14)12-15(17)18(22)19-9-3-1-2-4-10-19/h5-7,12H,1-4,8-11H2

InChI Key

ZWLKBSCBBXNLOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18487177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.72

Polar Surface Area

34.228

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

J099-0071 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J099-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-0071?
Check Price and Availability of J099-0071, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J099-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-0071
  • 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 J099-0071 available by request