S974-2553 Screening compound: 7-(dimethylamino)-2-(5-fluoropyridine-2-carbonyl)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one

S974-2553 Screening compound: 7-(dimethylamino)-2-(5-fluoropyridine-2-carbonyl)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one
S974-2553 Screening compound: 7-(dimethylamino)-2-(5-fluoropyridine-2-carbonyl)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-2553
7-(dimethylamino)-2-(5-fluoropyridine-2-carbonyl)-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

S974-2553

Molecular Formula

C16H21FN4O2 (C16 H21 FN4 O2)

Compound Name

7-(dimethylamino)-2-(5-fluoropyridine-2-carbonyl)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one

IUPAC name

(3S7S8aS)-7-(dimethylamino)-2-(5-fluoropyridine-2-carbonyl)-3-methyl-octahydropyrrolo[12-a]pyrazin-4-one

SMILES

C[C@@H](C(N(C[C@H](C1)N(C)C)[C@@H]1C1)=O)N1C(c(cc1)ncc1F)=O

InChI

InChI=1S/C16H21FN4O2/c1-10-15(22)21-8-12(19(2)3)6-13(21)9-20(10)16(23)14-5-4-11(17)7-18-14/h4-5,7,10,12-13H,6,8-9H2,1-3H3/t10-,12+,13+/m0/s1

InChI Key

OILLERSKPFEYCQ-CYZMBNFOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.363

Distribution Coefficient, logD

-1.342

Water Solubility, LogSw

-1.26

Polar Surface Area

44.222

Acid Dissociation Constant (pKa)

20.93

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

56.25

S974-2553 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S974-2553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-2553?
Check Price and Availability of S974-2553, 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 S974-2553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-2553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-2553
  • 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 S974-2553 available by request