Y600-1506 Screening compound: 2-{[4-(2,4-dimethylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of ChemDiv screening compound Y600-1506
2-{[4-(2,4-dimethylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
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
Y600-1506
Molecular Formula
C22H20N4OS2 (C22 H20 N4 OS2)
Compound Name
2-{[4-(2,4-dimethylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
IUPAC name
2-{[4-(24-dimethylphenyl)-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}-N-phenylacetamide
SMILES
Cc(cc1)cc(C)c1-n1c(SCC(Nc2ccccc2)=O)nnc1-c1cccs1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
420.56
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.390
Distribution Coefficient, logD
5.390
Water Solubility, LogSw
-5.33
Polar Surface Area
48.579
Acid Dissociation Constant (pKa)
12.89
Base Dissociation Constant (pKb)
5.07
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
13.64
Y600-1506 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with Y600-1506 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)