8018-3720 Screening compound: 4-benzyl-3-(4-chlorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of ChemDiv screening compound 8018-3720
4-benzyl-3-(4-chlorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole
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
8018-3720
Molecular Formula
C20H17ClN4S2 (C20 H17 ClN4 S2)
Compound Name
4-benzyl-3-(4-chlorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole
IUPAC name
4-benzyl-3-(4-chlorophenyl)-5-{[(2-methyl-13-thiazol-4-yl)methyl]sulfanyl}-4H-124-triazole
SMILES
Cc1nc(CSc2nnc(-c(cc3)ccc3Cl)n2Cc2ccccc2)cs1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
412.97
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
5.781
Distribution Coefficient, logD
5.781
Water Solubility, LogSw
-6.19
Polar Surface Area
34.276
Acid Dissociation Constant (pKa)
18.02
Base Dissociation Constant (pKb)
4.13
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.00
8018-3720 in Drug Discovery
Included in Screening Libraries
Antibacterial Compounds Library (13827 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Agro
References: we are preparing a list of scientific research reports with 8018-3720 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)