S570-0256 Screening compound: 2,5-difluoro-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide

S570-0256 Screening compound: 2,5-difluoro-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide
S570-0256 Screening compound: 2,5-difluoro-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0256
2,5-difluoro-N-[(1-methyl-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

S570-0256

Molecular Formula

C18H20F2N2O2 (C18 H20 F2 N2 O2)

Compound Name

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

IUPAC name

25-difluoro-N-[(1-methyl-2-oxo-12344a567-octahydroquinolin-4a-yl)methyl]benzamide

SMILES

CN1C2=CCCCC2(CNC(c(cc(cc2)F)c2F)=O)CCC1=O

InChI

InChI=1S/C18H20F2N2O2/c1-22-15-4-2-3-8-18(15,9-7-16(22)23)11-21-17(24)13-10-12(19)5-6-14(13)20/h4-6,10H,2-3,7-9,11H2,1H3,(H,21,24)/t18-/m0/s1

InChI Key

OGRUUUHLWFCPAW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31986747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.197

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.50

Polar Surface Area

40.080

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S570-0256 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S570-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0256?
Check Price and Availability of S570-0256, 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 S570-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0256
  • 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 S570-0256 available by request