S747-1351 Screening compound: 9-[3-(2-PYRAZINYL)-1,2,4-OXADIAZOL-5-YL]-5-[4-(TRIFLUOROMETHYL)BENZYL]-1,5-DIAZACYCLOUNDECAN-2-ONE
Chemical Structure Depiction of ChemDiv screening compound S747-1351
9-[3-(2-PYRAZINYL)-1,2,4-OXADIAZOL-5-YL]-5-[4-(TRIFLUOROMETHYL)BENZYL]-1,5-DIAZACYCLOUNDECAN-2-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
S747-1351
Molecular Formula
C23H25F3N6O2 (C23 H25 F3 N6 O2)
Compound Name
9-[3-(2-PYRAZINYL)-1,2,4-OXADIAZOL-5-YL]-5-[4-(TRIFLUOROMETHYL)BENZYL]-1,5-DIAZACYCLOUNDECAN-2-ONE
IUPAC name
9-[3-(pyrazin-2-yl)-124-oxadiazol-5-yl]-5-{[4-(trifluoromethyl)phenyl]methyl}-15-diazacycloundecan-2-one
SMILES
O=C(CCN(Cc1ccc(C(F)(F)F)cc1)CCC1)NCCC1c1nc(-c2nccnc2)no1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
474.49
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.395
Distribution Coefficient, logD
1.352
Water Solubility, LogSw
-2.44
Polar Surface Area
79.297
Acid Dissociation Constant (pKa)
13.91
Base Dissociation Constant (pKb)
8.40
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
43.48
S747-1351 in Drug Discovery
Included in Screening Libraries
Macrocycles Library (2450 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with S747-1351 chemical compound. It will be published here after verification.
Frequently Asked Questions
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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)