S570-0109 Screening compound: 3-methyl-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide

S570-0109 Screening compound: 3-methyl-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide
S570-0109 Screening compound: 3-methyl-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0109
3-methyl-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide

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

S570-0109

Molecular Formula

C18H22N2O2 (C18 H22 N2 O2)

Compound Name

3-methyl-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide

IUPAC name

3-methyl-N-[(2-oxo-12344a567-octahydroquinolin-4a-yl)methyl]benzamide

SMILES

Cc1cccc(C(NCC2(CCC(N3)=O)C3=CCCC2)=O)c1

InChI

InChI=1S/C18H22N2O2/c1-13-5-4-6-14(11-13)17(22)19-12-18-9-3-2-7-15(18)20-16(21)8-10-18/h4-7,11H,2-3,8-10,12H2,1H3,(H,19,22)(H,20,21)/t18-/m0/s1

InChI Key

OTMQPAANUSRYGC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31985424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.821

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-3.18

Polar Surface Area

49.806

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S570-0109 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S570-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0109?
Check Price and Availability of S570-0109, 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 S570-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0109
  • 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 S570-0109 available by request