J099-0218 Screening compound: 8-bromo-N~5~-(4-methylphenyl)-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

J099-0218 Screening compound: 8-bromo-N~5~-(4-methylphenyl)-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
J099-0218 Screening compound: 8-bromo-N~5~-(4-methylphenyl)-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J099-0218
8-bromo-N~5~-(4-methylphenyl)-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

J099-0218

Molecular Formula

C19H15BrN2O2 (C19 H15 BrN2 O2)

Compound Name

8-bromo-N~5~-(4-methylphenyl)-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

IUPAC name

6-bromo-N-(4-methylphenyl)-9-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)10-tetraene-10-carboxamide

SMILES

Cc(cc1)ccc1NC(C1=CN(CCc2cc(Br)c3)c2c3C1=O)=O

InChI

InChI=1S/C19H15BrN2O2/c1-11-2-4-14(5-3-11)21-19(24)16-10-22-7-6-12-8-13(20)9-15(17(12)22)18(16)23/h2-5,8-10H,6-7H2,1H3,(H,21,24)

InChI Key

OQTQSDUCNOPQCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.28

Polar Surface Area

40.340

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with J099-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-0218?
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What is the minimum amount of J099-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-0218
  • 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 J099-0218 available by request