S974-0497 Screening compound: 2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one

S974-0497 Screening compound: 2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one
S974-0497 Screening compound: 2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-0497
2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-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

S974-0497

Molecular Formula

C16H25N5O2 (C16 H25 N5 O2)

Compound Name

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

IUPAC name

(3S7S8aS)-2-(15-dimethyl-1H-pyrazole-3-carbonyl)-7-(dimethylamino)-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(c1nn(C)c(C)c1)=O

InChI

InChI=1S/C16H25N5O2/c1-10-6-14(17-19(10)5)16(23)20-9-13-7-12(18(3)4)8-21(13)15(22)11(20)2/h6,11-13H,7-9H2,1-5H3/t11-,12+,13-/m0/s1

InChI Key

LTBUEMRMAUHDCJ-XQQFMLRXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.477

Distribution Coefficient, logD

-2.182

Water Solubility, LogSw

-0.55

Polar Surface Area

49.572

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.75

S974-0497 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

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

References: we are preparing a list of scientific research reports with S974-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-0497?
Check Price and Availability of S974-0497, 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 S974-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-0497
  • 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 S974-0497 available by request