V003-2673 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole
Chemical Structure Depiction of ChemDiv screening compound V003-2673
2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole
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
V003-2673
Molecular Formula
C27H37N3O5S2 (C27 H37 N3 O5 S2)
Compound Name
2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole
IUPAC name
2-{[(23-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-13-benzodiazole
SMILES
CCOCCCn1c(SCc(cccc2OC)c2OC)nc2c1ccc(S(N1CC(C)CCC1)(=O)=O)c2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
547.74
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
5.334
Distribution Coefficient, logD
5.333
Water Solubility, LogSw
-5.31
Polar Surface Area
65.697
Acid Dissociation Constant (pKa)
24.63
Base Dissociation Constant (pKb)
4.79
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
51.90
References: we are preparing a list of scientific research reports with V003-2673 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)