S915-0040 Screening compound: (7S,8aS)-2-(1H-indol-4-ylcarbonyl)-7-methoxyhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one

S915-0040 Screening compound: (7S,8aS)-2-(1H-indol-4-ylcarbonyl)-7-methoxyhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
S915-0040 Screening compound: (7S,8aS)-2-(1H-indol-4-ylcarbonyl)-7-methoxyhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S915-0040
(7S,8aS)-2-(1H-indol-4-ylcarbonyl)-7-methoxyhexahydropyrrolo[1,2-a]pyrazin-4(1H)-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

S915-0040

Molecular Formula

C17H19N3O3 (C17 H19 N3 O3)

Compound Name

(7S,8aS)-2-(1H-indol-4-ylcarbonyl)-7-methoxyhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one

IUPAC name

(7S8aS)-2-(1H-indole-4-carbonyl)-7-methoxy-octahydropyrrolo[12-a]pyrazin-4-one

SMILES

CO[C@@H](C[C@H]1CN(C2)C(c3c(cc[nH]4)c4ccc3)=O)CN1C2=O

InChI

InChI=1S/C17H19N3O3/c1-23-12-7-11-8-19(10-16(21)20(11)9-12)17(22)14-3-2-4-15-13(14)5-6-18-15/h2-6,11-12,18H,7-10H2,1H3/t11-,12+/m0/s1

InChI Key

MZVSIMXUNJDBEX-NWDGAFQWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.413

Distribution Coefficient, logD

0.413

Water Solubility, LogSw

-2.23

Polar Surface Area

50.581

Acid Dissociation Constant (pKa)

17.81

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.18

S915-0040 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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

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

References: we are preparing a list of scientific research reports with S915-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S915-0040?
Check Price and Availability of S915-0040, 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 S915-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S915-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S915-0040
  • 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 S915-0040 available by request