S700-1118 Screening compound: N-[(4-methoxyphenyl)methyl]-3-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S700-1118
N-[(4-methoxyphenyl)methyl]-3-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
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
S700-1118
Molecular Formula
C22H30N4O5 (C22 H30 N4 O5)
Compound Name
N-[(4-methoxyphenyl)methyl]-3-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
IUPAC name
N-[(4-methoxyphenyl)methyl]-3-(3-{2-[(oxan-4-yl)methoxy]ethyl}-124-oxadiazol-5-yl)azetidine-1-carboxamide
SMILES
COc1ccc(CNC(N(C2)CC2c2nc(CCOCC3CCOCC3)no2)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
430.5
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.358
Distribution Coefficient, logD
2.358
Water Solubility, LogSw
-2.68
Polar Surface Area
83.621
Acid Dissociation Constant (pKa)
14.98
Base Dissociation Constant (pKb)
0.87
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
59.10
S700-1118 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- GPCR
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S700-1118 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S700-1118, 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)