G852-0449 Screening compound: N-[3-(methylsulfanyl)phenyl]-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-4-carboxamide

G852-0449 Screening compound: N-[3-(methylsulfanyl)phenyl]-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-4-carboxamide
G852-0449 Screening compound: N-[3-(methylsulfanyl)phenyl]-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G852-0449
N-[3-(methylsulfanyl)phenyl]-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-4-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

G852-0449

Molecular Formula

C22H23N3O4S2 (C22 H23 N3 O4 S2)

Compound Name

N-[3-(methylsulfanyl)phenyl]-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-4-carboxamide

IUPAC name

N-[3-(methylsulfanyl)phenyl]-1-[(2-oxo-12-dihydroquinolin-6-yl)sulfonyl]piperidine-4-carboxamide

SMILES

CSc1cccc(NC(C(CC2)CCN2S(c(cc2)cc(C=C3)c2NC3=O)(=O)=O)=O)c1

InChI

InChI=1S/C22H23N3O4S2/c1-30-18-4-2-3-17(14-18)23-22(27)15-9-11-25(12-10-15)31(28,29)19-6-7-20-16(13-19)5-8-21(26)24-20/h2-8,13-15H,9-12H2,1H3,(H,23,27)(H,24,26)

InChI Key

ICTXSEWPSHLXAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.931

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-3.49

Polar Surface Area

79.861

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G852-0449 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G852-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G852-0449?
Check Price and Availability of G852-0449, 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 G852-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G852-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G852-0449
  • 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 G852-0449 available by request