S974-0525 Screening compound: 7-(dimethylamino)-3-(2-methylpropyl)-2-[2-(thiophen-3-yl)acetyl]-octahydropyrrolo[1,2-a]pyrazin-4-one

S974-0525 Screening compound: 7-(dimethylamino)-3-(2-methylpropyl)-2-[2-(thiophen-3-yl)acetyl]-octahydropyrrolo[1,2-a]pyrazin-4-one
S974-0525 Screening compound: 7-(dimethylamino)-3-(2-methylpropyl)-2-[2-(thiophen-3-yl)acetyl]-octahydropyrrolo[1,2-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-0525
7-(dimethylamino)-3-(2-methylpropyl)-2-[2-(thiophen-3-yl)acetyl]-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

S974-0525

Molecular Formula

C19H29N3O2S (C19 H29 N3 O2 S)

Compound Name

7-(dimethylamino)-3-(2-methylpropyl)-2-[2-(thiophen-3-yl)acetyl]-octahydropyrrolo[1,2-a]pyrazin-4-one

IUPAC name

(3S7S8aS)-7-(dimethylamino)-3-(2-methylpropyl)-2-[2-(thiophen-3-yl)acetyl]-octahydropyrrolo[12-a]pyrazin-4-one

SMILES

CC(C)C[C@@H](C(N(C[C@H](C1)N(C)C)[C@@H]1C1)=O)N1C(Cc1cscc1)=O

InChI

InChI=1S/C19H29N3O2S/c1-13(2)7-17-19(24)21-10-15(20(3)4)9-16(21)11-22(17)18(23)8-14-5-6-25-12-14/h5-6,12-13,15-17H,7-11H2,1-4H3/t15-,16-,17+/m1/s1

InChI Key

XKMDCCRTCYWMKN-ZACQAIPSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.075

Distribution Coefficient, logD

0.371

Water Solubility, LogSw

-2.41

Polar Surface Area

35.937

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.42

S974-0525 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 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
  • Cardiovascular
Structure:
  • Pool
  • Mimetics
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S974-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-0525?
Check Price and Availability of S974-0525, 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 S974-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-0525
  • 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 S974-0525 available by request