G856-5611 Screening compound: methyl 1-[(2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]-4-piperidinecarboxylate

G856-5611 Screening compound: methyl 1-[(2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]-4-piperidinecarboxylate
G856-5611 Screening compound: methyl 1-[(2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5611
methyl 1-[(2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]-4-piperidinecarboxylate

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

G856-5611

Molecular Formula

C18H22N2O5S (C18 H22 N2 O5 S)

Compound Name

methyl 1-[(2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]-4-piperidinecarboxylate

IUPAC name

methyl 1-({2-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)-trien-6-yl}sulfonyl)piperidine-4-carboxylate

SMILES

COC(C(CC1)CCN1S(c(cc1C2)cc(CCC3)c1N3C2=O)(=O)=O)=O

InChI

InChI=1S/C18H22N2O5S/c1-25-18(22)12-4-7-19(8-5-12)26(23,24)15-9-13-3-2-6-20-16(21)11-14(10-15)17(13)20/h9-10,12H,2-8,11H2,1H3

InChI Key

CGKOUBFIMYGVBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06749672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.326

Distribution Coefficient, logD

1.326

Water Solubility, LogSw

-1.91

Polar Surface Area

70.726

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

G856-5611 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Hsp90-Targeted Library (11355 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with G856-5611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5611?
Check Price and Availability of G856-5611, 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 G856-5611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5611
  • 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 G856-5611 available by request