G856-5712 Screening compound: 2-oxo-N~8~-[3-(trifluoromethyl)phenyl]-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

G856-5712 Screening compound: 2-oxo-N~8~-[3-(trifluoromethyl)phenyl]-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
G856-5712 Screening compound: 2-oxo-N~8~-[3-(trifluoromethyl)phenyl]-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5712
2-oxo-N~8~-[3-(trifluoromethyl)phenyl]-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

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

G856-5712

Molecular Formula

C18H15F3N2O3S (C18 H15 F3 N2 O3 S)

Compound Name

2-oxo-N~8~-[3-(trifluoromethyl)phenyl]-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

IUPAC name

2-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)-triene-6-sulfonamide

SMILES

O=C(Cc1c2)N(CCC3)c1c3cc2S(Nc1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C18H15F3N2O3S/c19-18(20,21)13-4-1-5-14(10-13)22-27(25,26)15-7-11-3-2-6-23-16(24)9-12(8-15)17(11)23/h1,4-5,7-8,10,22H,2-3,6,9H2

InChI Key

SCWGVBGPQCECMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06749780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.90

Polar Surface Area

58.491

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G856-5712 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Hsp90-Targeted Library (11355 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-5712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5712?
Check Price and Availability of G856-5712, 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 G856-5712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5712
  • 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 G856-5712 available by request