S974-0576 Screening compound: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7-(dimethylamino)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazin-4-one

S974-0576 Screening compound: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7-(dimethylamino)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazin-4-one
S974-0576 Screening compound: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7-(dimethylamino)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-0576
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7-(dimethylamino)-3-(2-methylpropyl)-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

S974-0576

Molecular Formula

C20H32N4O3 (C20 H32 N4 O3)

Compound Name

2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7-(dimethylamino)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazin-4-one

IUPAC name

(3S7S8aS)-2-[2-(35-dimethyl-12-oxazol-4-yl)acetyl]-7-(dimethylamino)-3-(2-methylpropyl)-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(Cc1c(C)onc1C)=O

InChI

InChI=1S/C20H32N4O3/c1-12(2)7-18-20(26)23-10-15(22(5)6)8-16(23)11-24(18)19(25)9-17-13(3)21-27-14(17)4/h12,15-16,18H,7-11H2,1-6H3/t15-,16+,18+/m1/s1

InChI Key

IPFZNSGWFXWDHD-RYRKJORJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.433

Distribution Coefficient, logD

-0.272

Water Solubility, LogSw

-1.34

Polar Surface Area

56.957

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

75.00

S974-0576 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S974-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-0576?
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What is the minimum amount of S974-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-0576
  • 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 S974-0576 available by request