S553-0497 Screening compound: 1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
Chemical Structure Depiction of ChemDiv screening compound S553-0497
1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
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
S553-0497
Molecular Formula
C10H10FN3O2 (C10 H10 FN3 O2)
Compound Name
1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
IUPAC name
1-[3-(3-fluoro-4-methoxyphenyl)-124-oxadiazol-5-yl]methanamine
SMILES
COc(ccc(-c1noc(CN)n1)c1)c1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
223.21
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.227
Distribution Coefficient, logD
1.201
Water Solubility, LogSw
-1.98
Polar Surface Area
60.872
Acid Dissociation Constant (pKa)
23.37
Base Dissociation Constant (pKb)
6.19
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
S553-0497 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
Cardiovascular Library (22201 compounds)
Fragments Library (11262 compounds)
Soluble Diversity Library (15920 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Nervous system
- Cardiovascular
- Epigenetic
- Fragments
References: we are preparing a list of scientific research reports with S553-0497 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)