8104-04865 Screening compound: 4-amino-N-[2-({[4-(benzyloxy)-3-chloro-5-methoxyphenyl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound 8104-04865
4-amino-N-[2-({[4-(benzyloxy)-3-chloro-5-methoxyphenyl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-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
8104-04865
Molecular Formula
C20H22ClN5O4 (C20 H22 ClN5 O4)
Compound Name
4-amino-N-[2-({[4-(benzyloxy)-3-chloro-5-methoxyphenyl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-carboxamide
IUPAC name
4-amino-N-[2-({[4-(benzyloxy)-3-chloro-5-methoxyphenyl]methyl}amino)ethyl]-125-oxadiazole-3-carboxamide
SMILES
COc1cc(CNCCNC(c2nonc2N)=O)cc(Cl)c1OCc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
431.88
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
4.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.445
Distribution Coefficient, logD
0.627
Water Solubility, LogSw
-3.35
Polar Surface Area
108.488
Acid Dissociation Constant (pKa)
14.03
Base Dissociation Constant (pKb)
9.21
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.00
References: we are preparing a list of scientific research reports with 8104-04865 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)