K784-3521 Screening compound: 2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound K784-3521
2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3,4-difluorophenyl)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
K784-3521
Molecular Formula
C29H28F2N4O5S (C29 H28 F2 N4 O5 S)
Compound Name
2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
IUPAC name
2-{[56-bis(3-ethoxy-4-methoxyphenyl)-124-triazin-3-yl]sulfanyl}-N-(34-difluorophenyl)acetamide
SMILES
CCOc(cc(cc1)-c2nc(SCC(Nc(cc3)cc(F)c3F)=O)nnc2-c(cc2)cc(OCC)c2OC)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
582.63
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
4.702
Distribution Coefficient, logD
4.694
Water Solubility, LogSw
-4.48
Polar Surface Area
84.216
Acid Dissociation Constant (pKa)
9.12
Base Dissociation Constant (pKb)
-0.41
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
24.10
K784-3521 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anticancer Library (62698 compounds)
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 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
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with K784-3521 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)