S570-0251 Screening compound: 3-methoxy-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide

S570-0251 Screening compound: 3-methoxy-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]benzamide
S570-0251 Screening compound: 3-methoxy-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 S570-0251
3-methoxy-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

S570-0251

Molecular Formula

C19H24N2O3 (C19 H24 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CN1C2=CCCCC2(CNC(c2cc(OC)ccc2)=O)CCC1=O

InChI

InChI=1S/C19H24N2O3/c1-21-16-8-3-4-10-19(16,11-9-17(21)22)13-20-18(23)14-6-5-7-15(12-14)24-2/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,20,23)/t19-/m0/s1

InChI Key

ZUNATFHLRWARNZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31989055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.628

Distribution Coefficient, logD

2.628

Water Solubility, LogSw

-2.98

Polar Surface Area

47.624

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S570-0251 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S570-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0251?
Check Price and Availability of S570-0251, 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 S570-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0251
  • 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 S570-0251 available by request