J099-1138 Screening compound: 8-bromo-2-methyl-N~5~-(4-methylphenyl)-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

J099-1138 Screening compound: 8-bromo-2-methyl-N~5~-(4-methylphenyl)-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
J099-1138 Screening compound: 8-bromo-2-methyl-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 J099-1138
8-bromo-2-methyl-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

J099-1138

Molecular Formula

C20H17BrN2O2 (C20 H17 BrN2 O2)

Compound Name

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

IUPAC name

6-bromo-2-methyl-N-(4-methylphenyl)-9-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)10-tetraene-10-carboxamide

SMILES

CC(Cc1cc(Br)c2)N(C=C3C(Nc4ccc(C)cc4)=O)c1c2C3=O

InChI

InChI=1S/C20H17BrN2O2/c1-11-3-5-15(6-4-11)22-20(25)17-10-23-12(2)7-13-8-14(21)9-16(18(13)23)19(17)24/h3-6,8-10,12H,7H2,1-2H3,(H,22,25)/t12-/m1/s1

InChI Key

MAFGQKUYBKCQET-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD15081209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.27

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

4.731

Distribution Coefficient, logD

4.731

Water Solubility, LogSw

-4.56

Polar Surface Area

39.981

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with J099-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-1138?
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What is the minimum amount of J099-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-1138
  • 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 J099-1138 available by request