S774-0395 Screening compound: [3-(4-FLUOROPHENYL)-5,6,7,8,9,10,12,13-OCTAHYDRO-11H-[1,2,4]TRIAZOLO[4,3-A][1,5]DIAZACYCLOUNDECIN-11-YL](4-METHYL-1,3-OXAZOL-5-YL)METHANONE
Chemical Structure Depiction of ChemDiv screening compound S774-0395
[3-(4-FLUOROPHENYL)-5,6,7,8,9,10,12,13-OCTAHYDRO-11H-[1,2,4]TRIAZOLO[4,3-A][1,5]DIAZACYCLOUNDECIN-11-YL](4-METHYL-1,3-OXAZOL-5-YL)METHANONE
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
S774-0395
Molecular Formula
C21H24FN5O2 (C21 H24 FN5 O2)
Compound Name
[3-(4-FLUOROPHENYL)-5,6,7,8,9,10,12,13-OCTAHYDRO-11H-[1,2,4]TRIAZOLO[4,3-A][1,5]DIAZACYCLOUNDECIN-11-YL](4-METHYL-1,3-OXAZOL-5-YL)METHANONE
IUPAC name
n/a
SMILES
Cc1c(C(N2CCc3nnc(-c(cc4)ccc4F)n3CCCCCC2)=O)ocn1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
397.45
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.608
Distribution Coefficient, logD
2.608
Water Solubility, LogSw
-2.68
Polar Surface Area
60.633
Acid Dissociation Constant (pKa)
20.13
Base Dissociation Constant (pKb)
4.35
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
42.90
S774-0395 in Drug Discovery
Included in Screening Libraries
Macrocycles Library (2450 compounds)
Protein-Protein Interaction Library (218420 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with S774-0395 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)