S627-0052 Screening compound: N-[(2-methylphenyl)methyl]-6-oxo-8-phenyl-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide

S627-0052 Screening compound: N-[(2-methylphenyl)methyl]-6-oxo-8-phenyl-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
S627-0052 Screening compound: N-[(2-methylphenyl)methyl]-6-oxo-8-phenyl-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S627-0052
N-[(2-methylphenyl)methyl]-6-oxo-8-phenyl-2,3,4,6-tetrahydro-1H-quinolizine-9-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

S627-0052

Molecular Formula

C24H24N2O2 (C24 H24 N2 O2)

Compound Name

N-[(2-methylphenyl)methyl]-6-oxo-8-phenyl-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide

IUPAC name

N-[(2-methylphenyl)methyl]-6-oxo-8-phenyl-2346-tetrahydro-1H-quinolizine-9-carboxamide

SMILES

Cc1c(CNC(C(C(c2ccccc2)=C2)=C(CCCC3)N3C2=O)=O)cccc1

InChI

InChI=1S/C24H24N2O2/c1-17-9-5-6-12-19(17)16-25-24(28)23-20(18-10-3-2-4-11-18)15-22(27)26-14-8-7-13-21(23)26/h2-6,9-12,15H,7-8,13-14,16H2,1H3,(H,25,28)

InChI Key

QVGCSZLLMRVJKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31978733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-4.02

Polar Surface Area

41.142

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S627-0052 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S627-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S627-0052?
Check Price and Availability of S627-0052, 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 S627-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S627-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S627-0052
  • 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 S627-0052 available by request