Y600-2478 Screening compound: methyl 4-({[(4-methoxyphenethyl)amino]carbothioyl}amino)benzoate
Chemical Structure Depiction of ChemDiv screening compound Y600-2478
methyl 4-({[(4-methoxyphenethyl)amino]carbothioyl}amino)benzoate
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
Y600-2478
Molecular Formula
C18H20N2O3S (C18 H20 N2 O3 S)
Compound Name
methyl 4-({[(4-methoxyphenethyl)amino]carbothioyl}amino)benzoate
IUPAC name
methyl 4-({[2-(4-methoxyphenyl)ethyl]carbamothioyl}amino)benzoate
SMILES
COC(c(cc1)ccc1NC(NCCc(cc1)ccc1OC)=S)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
344.43
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.342
Distribution Coefficient, logD
3.342
Water Solubility, LogSw
-3.65
Polar Surface Area
48.942
Acid Dissociation Constant (pKa)
12.70
Base Dissociation Constant (pKb)
-1.89
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
22.22
References: we are preparing a list of scientific research reports with Y600-2478 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)