S627-0060 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-oxo-8-phenyl-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide

S627-0060 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-oxo-8-phenyl-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
S627-0060 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-oxo-8-phenyl-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S627-0060
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-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

S627-0060

Molecular Formula

C27H27N3O3 (C27 H27 N3 O3)

Compound Name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-oxo-8-phenyl-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide

IUPAC name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-oxo-8-phenyl-2346-tetrahydro-1H-quinolizine-9-carboxamide

SMILES

COc(cc1)cc2c1[nH]cc2CCNC(C(C(c1ccccc1)=C1)=C(CCCC2)N2C1=O)=O

InChI

InChI=1S/C27H27N3O3/c1-33-20-10-11-23-21(15-20)19(17-29-23)12-13-28-27(32)26-22(18-7-3-2-4-8-18)16-25(31)30-14-6-5-9-24(26)30/h2-4,7-8,10-11,15-17,29H,5-6,9,12-14H2,1H3,(H,28,32)

InChI Key

UZSVFEIVTDQWJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31963305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-3.61

Polar Surface Area

58.398

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.93

S627-0060 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S627-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S627-0060?
Check Price and Availability of S627-0060, 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 S627-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S627-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S627-0060
  • 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 S627-0060 available by request