V030-3562 Screening compound: 5-(diethylamino)-2-({[(2-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl ethane-1-sulfonate
Chemical Structure Depiction of ChemDiv screening compound V030-3562
5-(diethylamino)-2-({[(2-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl ethane-1-sulfonate
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
V030-3562
Molecular Formula
C26H37N3O6S (C26 H37 N3 O6 S)
Compound Name
5-(diethylamino)-2-({[(2-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl ethane-1-sulfonate
IUPAC name
5-(diethylamino)-2-({[(2-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl ethane-1-sulfonate
SMILES
CCN(CC)c1cc(OS(CC)(=O)=O)c(CN(CC2OCCC2)C(Nc(cccc2)c2OC)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
519.66
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
14.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
4.039
Distribution Coefficient, logD
4.030
Water Solubility, LogSw
-4.05
Polar Surface Area
78.517
Acid Dissociation Constant (pKa)
12.82
Base Dissociation Constant (pKb)
5.75
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
V030-3562 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Epigenetic
References: we are preparing a list of scientific research reports with V030-3562 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)