F449-4610 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound F449-4610
2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
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
F449-4610
Molecular Formula
C26H32N8OS (C26 H32 N8 OS)
Compound Name
2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
IUPAC name
2-{[5-(tert-butylamino)-6-phenylimidazo[21-b][134]thiadiazol-2-yl](methyl)amino}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
SMILES
CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N(C)CC(N(CC3)CCN3c3ncccc3)=O)nn12
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
504.66
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
4.165
Distribution Coefficient, logD
4.156
Water Solubility, LogSw
-4.04
Polar Surface Area
61.446
Acid Dissociation Constant (pKa)
17.50
Base Dissociation Constant (pKb)
5.71
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.50
F449-4610 in Drug Discovery
Included in Screening Libraries
GPCR Targeted Library (31838 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Targeted Diversity Library (40567 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- GPCR
- Kinases
- Receptor's ligands
References: we are preparing a list of scientific research reports with F449-4610 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)