J099-1086 Screening compound: N~5~-[4-(aminosulfonyl)phenyl]-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

J099-1086 Screening compound: N~5~-[4-(aminosulfonyl)phenyl]-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
J099-1086 Screening compound: N~5~-[4-(aminosulfonyl)phenyl]-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J099-1086
N~5~-[4-(aminosulfonyl)phenyl]-2-methyl-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

J099-1086

Molecular Formula

C19H17N3O4S (C19 H17 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Cc1ccc2)N(C=C3C(Nc(cc4)ccc4S(N)(=O)=O)=O)c1c2C3=O

InChI

InChI=1S/C19H17N3O4S/c1-11-9-12-3-2-4-15-17(12)22(11)10-16(18(15)23)19(24)21-13-5-7-14(8-6-13)27(20,25)26/h2-8,10-11H,9H2,1H3,(H,21,24)(H2,20,25,26)/t11-/m0/s1

InChI Key

KOALWDWIHPCNER-NSHDSACASA-N

MDL Number (MFCD)

MFCD15081178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.764

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-2.78

Polar Surface Area

90.584

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

J099-1086 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J099-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-1086?
Check Price and Availability of J099-1086, 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 J099-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-1086
  • 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 J099-1086 available by request