V024-2257 Screening compound: N-({1-benzyl-2-[(2-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-chloro-N-ethylbenzamide
Chemical Structure Depiction of ChemDiv screening compound V024-2257
N-({1-benzyl-2-[(2-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-chloro-N-ethylbenzamide
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
V024-2257
Molecular Formula
C28H28ClN3O3S (C28 H28 ClN3 O3 S)
Compound Name
N-({1-benzyl-2-[(2-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-chloro-N-ethylbenzamide
IUPAC name
N-({1-benzyl-2-[(2-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-3-chloro-N-ethylbenzamide
SMILES
CCN(Cc(n1Cc2ccccc2)cnc1S(Cc1c(C)cccc1)(=O)=O)C(c1cccc(Cl)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
522.07
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.690
Distribution Coefficient, logD
5.690
Water Solubility, LogSw
-5.81
Polar Surface Area
56.587
Acid Dissociation Constant (pKa)
19.66
Base Dissociation Constant (pKb)
-2.55
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
21.40
V024-2257 in Drug Discovery
Included in Screening Libraries
Antifungal Library (16415 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Agro
References: we are preparing a list of scientific research reports with V024-2257 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)