S570-0153 Screening compound: 3,4-dimethoxy-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide

S570-0153 Screening compound: 3,4-dimethoxy-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide
S570-0153 Screening compound: 3,4-dimethoxy-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 S570-0153
3,4-dimethoxy-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

S570-0153

Molecular Formula

C19H24N2O4 (C19 H24 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(NCC1(CCC(N2)=O)C2=CCCC1)=O)c1)c1OC

InChI

InChI=1S/C19H24N2O4/c1-24-14-7-6-13(11-15(14)25-2)18(23)20-12-19-9-4-3-5-16(19)21-17(22)8-10-19/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,20,23)(H,21,22)/t19-/m0/s1

InChI Key

SFMIEDATFDHDCV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31961070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.074

Distribution Coefficient, logD

2.074

Water Solubility, LogSw

-2.83

Polar Surface Area

65.067

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S570-0153 in Drug Discovery

Included in Screening Libraries

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:
  • 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 S570-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0153?
Check Price and Availability of S570-0153, 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 S570-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0153
  • 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 S570-0153 available by request