S974-0449 Screening compound: 7-(dimethylamino)-3-methyl-2-(2-phenoxyacetyl)-octahydropyrrolo[1,2-a]pyrazin-4-one

S974-0449 Screening compound: 7-(dimethylamino)-3-methyl-2-(2-phenoxyacetyl)-octahydropyrrolo[1,2-a]pyrazin-4-one
S974-0449 Screening compound: 7-(dimethylamino)-3-methyl-2-(2-phenoxyacetyl)-octahydropyrrolo[1,2-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-0449
7-(dimethylamino)-3-methyl-2-(2-phenoxyacetyl)-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

S974-0449

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

7-(dimethylamino)-3-methyl-2-(2-phenoxyacetyl)-octahydropyrrolo[1,2-a]pyrazin-4-one

IUPAC name

(3S7S8aS)-7-(dimethylamino)-3-methyl-2-(2-phenoxyacetyl)-octahydropyrrolo[12-a]pyrazin-4-one

SMILES

C[C@@H](C(N(C[C@H](C1)N(C)C)[C@@H]1C1)=O)N1C(COc1ccccc1)=O

InChI

InChI=1S/C18H25N3O3/c1-13-18(23)21-10-14(19(2)3)9-15(21)11-20(13)17(22)12-24-16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3/t13-,14+,15-/m0/s1

InChI Key

FWEJTPPTUDBNQX-ZNMIVQPWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.678

Distribution Coefficient, logD

-1.027

Water Solubility, LogSw

-1.25

Polar Surface Area

42.057

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

55.56

S974-0449 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S974-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-0449?
Check Price and Availability of S974-0449, 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 S974-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-0449
  • 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 S974-0449 available by request