S974-0507 Screening compound: 7-(dimethylamino)-3-methyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-octahydropyrrolo[1,2-a]pyrazin-4-one
Chemical Structure Depiction of ChemDiv screening compound S974-0507
7-(dimethylamino)-3-methyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-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
S974-0507
Molecular Formula
C21H27N5O3 (C21 H27 N5 O3)
Compound Name
7-(dimethylamino)-3-methyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-octahydropyrrolo[1,2-a]pyrazin-4-one
IUPAC name
(3S7S8aS)-7-(dimethylamino)-3-methyl-2-[3-(3-phenyl-124-oxadiazol-5-yl)propanoyl]-octahydropyrrolo[12-a]pyrazin-4-one
SMILES
C[C@@H](C(N(C[C@H](C1)N(C)C)[C@@H]1C1)=O)N1C(CCc1nc(-c2ccccc2)no1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
397.48
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.628
Distribution Coefficient, logD
-0.076
Water Solubility, LogSw
-1.84
Polar Surface Area
65.901
Acid Dissociation Constant (pKa)
21.84
Base Dissociation Constant (pKb)
9.10
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
52.38
S974-0507 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Nervous system
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with S974-0507 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S974-0507, 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.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)