S974-2615 Screening compound: 2-benzyl-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one

S974-2615 Screening compound: 2-benzyl-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one
S974-2615 Screening compound: 2-benzyl-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-2615
2-benzyl-7-(dimethylamino)-3-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

S974-2615

Molecular Formula

C17H25N3O (C17 H25 N3 O)

Compound Name

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

IUPAC name

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

SMILES

C[C@@H]1N(Cc2ccccc2)C[C@H](C[C@@H](C2)N(C)C)N2C1=O

InChI

InChI=1S/C17H25N3O/c1-13-17(21)20-12-15(18(2)3)9-16(20)11-19(13)10-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3/t13-,15+,16-/m0/s1

InChI Key

YMFNBYZQDQTLIC-IMJJTQAJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.228

Distribution Coefficient, logD

-0.484

Water Solubility, LogSw

-1.64

Polar Surface Area

22.335

Acid Dissociation Constant (pKa)

20.53

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.82

S974-2615 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with S974-2615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-2615?
Check Price and Availability of S974-2615, 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 S974-2615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-2615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-2615
  • 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 S974-2615 available by request