J099-1027 Screening compound: N~5~-[3-(methylsulfanyl)phenyl]-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

J099-1027 Screening compound: N~5~-[3-(methylsulfanyl)phenyl]-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
J099-1027 Screening compound: N~5~-[3-(methylsulfanyl)phenyl]-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J099-1027
N~5~-[3-(methylsulfanyl)phenyl]-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

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

J099-1027

Molecular Formula

C19H16N2O2S (C19 H16 N2 O2 S)

Compound Name

N~5~-[3-(methylsulfanyl)phenyl]-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

IUPAC name

N-[3-(methylsulfanyl)phenyl]-9-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)10-tetraene-10-carboxamide

SMILES

CSc1cc(NC(C2=CN(CCc3ccc4)c3c4C2=O)=O)ccc1

InChI

InChI=1S/C19H16N2O2S/c1-24-14-6-3-5-13(10-14)20-19(23)16-11-21-9-8-12-4-2-7-15(17(12)21)18(16)22/h2-7,10-11H,8-9H2,1H3,(H,20,23)

InChI Key

MUKQYVKJIGCTOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.418

Distribution Coefficient, logD

3.418

Water Solubility, LogSw

-4.01

Polar Surface Area

40.340

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

J099-1027 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J099-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-1027?
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What is the minimum amount of J099-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-1027
  • 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 J099-1027 available by request