S974-0479 Screening compound: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one

S974-0479 Screening compound: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one
S974-0479 Screening compound: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-0479
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-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

S974-0479

Molecular Formula

C17H26N4O3 (C17 H26 N4 O3)

Compound Name

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

IUPAC name

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

InChI

InChI=1S/C17H26N4O3/c1-10-15(12(3)24-18-10)7-16(22)20-9-14-6-13(19(4)5)8-21(14)17(23)11(20)2/h11,13-14H,6-9H2,1-5H3/t11-,13+,14-/m0/s1

InChI Key

ZWQLYZWRGKXSIA-YUTCNCBUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.102

Distribution Coefficient, logD

-1.603

Water Solubility, LogSw

-0.14

Polar Surface Area

56.596

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

70.59

S974-0479 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)

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

References: we are preparing a list of scientific research reports with S974-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-0479?
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What is the minimum amount of S974-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-0479
  • 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 S974-0479 available by request