S915-0248 Screening compound: 3-benzyl-7-methoxy-2-[(5-methylpyridin-2-yl)methyl]-octahydropyrrolo[1,2-a]pyrazin-4-one

S915-0248 Screening compound: 3-benzyl-7-methoxy-2-[(5-methylpyridin-2-yl)methyl]-octahydropyrrolo[1,2-a]pyrazin-4-one
S915-0248 Screening compound: 3-benzyl-7-methoxy-2-[(5-methylpyridin-2-yl)methyl]-octahydropyrrolo[1,2-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S915-0248
3-benzyl-7-methoxy-2-[(5-methylpyridin-2-yl)methyl]-octahydropyrrolo[1,2-a]pyrazin-4-one

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

S915-0248

Molecular Formula

C22H27N3O2 (C22 H27 N3 O2)

Compound Name

3-benzyl-7-methoxy-2-[(5-methylpyridin-2-yl)methyl]-octahydropyrrolo[1,2-a]pyrazin-4-one

IUPAC name

(3S7S8aS)-3-benzyl-7-methoxy-2-[(5-methylpyridin-2-yl)methyl]-octahydropyrrolo[12-a]pyrazin-4-one

SMILES

Cc1cnc(CN(C[C@H](C2)N3C[C@H]2OC)[C@@H](Cc2ccccc2)C3=O)cc1

InChI

InChI=1S/C22H27N3O2/c1-16-8-9-18(23-12-16)13-24-14-19-11-20(27-2)15-25(19)22(26)21(24)10-17-6-4-3-5-7-17/h3-9,12,19-21H,10-11,13-15H2,1-2H3/t19-,20+,21-/m0/s1

InChI Key

GQKKNJFVCHPAHR-HBMCJLEFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-2.45

Polar Surface Area

36.669

Acid Dissociation Constant (pKa)

20.06

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.46

S915-0248 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S915-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S915-0248?
Check Price and Availability of S915-0248, 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 S915-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S915-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S915-0248
  • 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 S915-0248 available by request