J099-0092 Screening compound: N~5~-(2-benzoyl-4-chlorophenyl)-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

J099-0092 Screening compound: N~5~-(2-benzoyl-4-chlorophenyl)-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
J099-0092 Screening compound: N~5~-(2-benzoyl-4-chlorophenyl)-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J099-0092
N~5~-(2-benzoyl-4-chlorophenyl)-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

J099-0092

Molecular Formula

C25H17ClN2O3 (C25 H17 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccccc1)c(cc(cc1)Cl)c1NC(C1=CN(CCc2ccc3)c2c3C1=O)=O

InChI

InChI=1S/C25H17ClN2O3/c26-17-9-10-21(19(13-17)23(29)16-5-2-1-3-6-16)27-25(31)20-14-28-12-11-15-7-4-8-18(22(15)28)24(20)30/h1-10,13-14H,11-12H2,(H,27,31)

InChI Key

VWEPJBDRGFOWOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.205

Water Solubility, LogSw

-4.95

Polar Surface Area

53.109

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

J099-0092 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J099-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-0092?
Check Price and Availability of J099-0092, 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 J099-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-0092
  • 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 J099-0092 available by request