V004-7733 Screening compound: methyl 4-({2-[4-(2-methoxy-5-methylbenzenesulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzoate
Chemical Structure Depiction of ChemDiv screening compound V004-7733
methyl 4-({2-[4-(2-methoxy-5-methylbenzenesulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)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
V004-7733
Molecular Formula
C30H36N2O7S (C30 H36 N2 O7 S)
Compound Name
methyl 4-({2-[4-(2-methoxy-5-methylbenzenesulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzoate
IUPAC name
methyl 4-({2-[4-(2-methoxy-5-methylbenzenesulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzoate
SMILES
Cc(cc1)cc(S(N2CCN(CC(c3cc(OC)ccc3)OCc(cc3)ccc3C(OC)=O)CC2)(=O)=O)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
568.69
Hydrogen Bond Acceptors Count
12.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
4.527
Distribution Coefficient, logD
4.526
Water Solubility, LogSw
-4.30
Polar Surface Area
78.718
Acid Dissociation Constant (pKa)
23.56
Base Dissociation Constant (pKb)
4.59
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.70
References: we are preparing a list of scientific research reports with V004-7733 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)