K216-2925 Screening compound: N-benzyl-2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of ChemDiv screening compound K216-2925
N-benzyl-2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide
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
K216-2925
Molecular Formula
C30H32N4O5S (C30 H32 N4 O5 S)
Compound Name
N-benzyl-2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide
IUPAC name
N-benzyl-2-{[56-bis(4-ethoxy-3-methoxyphenyl)-124-triazin-3-yl]sulfanyl}acetamide
SMILES
CCOc(ccc(-c1nc(SCC(NCc2ccccc2)=O)nnc1-c(cc1)cc(OC)c1OCC)c1)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
560.67
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
14.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
4.427
Distribution Coefficient, logD
4.427
Water Solubility, LogSw
-4.34
Polar Surface Area
85.538
Acid Dissociation Constant (pKa)
13.29
Base Dissociation Constant (pKb)
-0.69
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.70
K216-2925 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anticancer Library (62698 compounds)
Eccentric PPI Library (11937 compounds)
MCL1 Targeted Library (12200 compounds)
Protein-Protein Interaction Library (218420 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with K216-2925 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)