V003-3240 Screening compound: 3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of ChemDiv screening compound V003-3240
3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-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
V003-3240
Molecular Formula
C23H31ClN2O4S (C23 H31 ClN2 O4 S)
Compound Name
3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
IUPAC name
3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
SMILES
CC(C)CC(N(CCN(C)C)Cc1cccc(OS(c(c(C)ccc2)c2Cl)(=O)=O)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
467.03
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.195
Distribution Coefficient, logD
3.307
Water Solubility, LogSw
-4.37
Polar Surface Area
55.799
Acid Dissociation Constant (pKa)
24.23
Base Dissociation Constant (pKb)
8.23
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
43.50
V003-3240 in Drug Discovery
Included in Screening Libraries
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Anti-HIV1 Library (19540 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Mimetics
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with V003-3240 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)