3524-0047 Screening compound: 2-[(4-cyano-5-{[(diethylcarbamoyl)methyl]sulfanyl}-1,2-thiazol-3-yl)sulfanyl]-N,N-diethylacetamide
Chemical Structure Depiction of ChemDiv screening compound 3524-0047
2-[(4-cyano-5-{[(diethylcarbamoyl)methyl]sulfanyl}-1,2-thiazol-3-yl)sulfanyl]-N,N-diethylacetamide
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
3524-0047
Molecular Formula
C16H24N4O2S3 (C16 H24 N4 O2 S3)
Compound Name
2-[(4-cyano-5-{[(diethylcarbamoyl)methyl]sulfanyl}-1,2-thiazol-3-yl)sulfanyl]-N,N-diethylacetamide
IUPAC name
2-[(4-cyano-5-{[(diethylcarbamoyl)methyl]sulfanyl}-12-thiazol-3-yl)sulfanyl]-NN-diethylacetamide
SMILES
CCN(CC)C(CSc1nsc(SCC(N(CC)CC)=O)c1C#N)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
400.59
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.668
Distribution Coefficient, logD
2.668
Water Solubility, LogSw
-2.67
Polar Surface Area
58.727
Acid Dissociation Constant (pKa)
21.87
Base Dissociation Constant (pKb)
5.21
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
62.50
3524-0047 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Dark Chemical Matter Library (18430 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Akt-Targeted Library (14764 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Pool
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Others
- Kinases
- Epigenetic
References: we are preparing a list of scientific research reports with 3524-0047 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)