8020-8289 Screening compound: 2-amino-5-cyano-6-(ethylsulfanyl)-4-(4-methoxybenzoyl)-3-pyridyl cyanide
Chemical Structure Depiction of ChemDiv screening compound 8020-8289
2-amino-5-cyano-6-(ethylsulfanyl)-4-(4-methoxybenzoyl)-3-pyridyl cyanide
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
8020-8289
Molecular Formula
C17H14N4O2S (C17 H14 N4 O2 S)
Compound Name
2-amino-5-cyano-6-(ethylsulfanyl)-4-(4-methoxybenzoyl)-3-pyridyl cyanide
IUPAC name
2-amino-6-(ethylsulfanyl)-4-(4-methoxybenzoyl)pyridine-35-dicarbonitrile
SMILES
CCSc(c(C#N)c1C(c(cc2)ccc2OC)=O)nc(N)c1C#N
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
338.39
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.879
Distribution Coefficient, logD
2.879
Water Solubility, LogSw
-3.26
Polar Surface Area
84.806
Acid Dissociation Constant (pKa)
14.66
Base Dissociation Constant (pKb)
-3.40
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.65
References: we are preparing a list of scientific research reports with 8020-8289 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)