S535-0508 Screening compound: 2-furyl[4-(morpholinomethyl)-1-azepanyl]methanone
Chemical Structure Depiction of ChemDiv screening compound S535-0508
2-furyl[4-(morpholinomethyl)-1-azepanyl]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
S535-0508
Molecular Formula
C16H24N2O3 (C16 H24 N2 O3)
Compound Name
2-furyl[4-(morpholinomethyl)-1-azepanyl]methanone
IUPAC name
1-(furan-2-carbonyl)-4-[(morpholin-4-yl)methyl]azepane
SMILES
O=C(c1ccco1)N1CCC(CN2CCOCC2)CCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
292.38
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.267
Distribution Coefficient, logD
0.822
Water Solubility, LogSw
-1.50
Polar Surface Area
37.437
Acid Dissociation Constant (pKa)
26.06
Base Dissociation Constant (pKb)
7.65
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
68.75
S535-0508 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- PPI modulators
References: we are preparing a list of scientific research reports with S535-0508 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)