L244-0168 Screening compound: N-[(4-ethoxyphenyl)methyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound L244-0168
N-[(4-ethoxyphenyl)methyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-3-carboxamide
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
L244-0168
Molecular Formula
C24H29N5O3S (C24 H29 N5 O3 S)
Compound Name
N-[(4-ethoxyphenyl)methyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-3-carboxamide
IUPAC name
N-[(4-ethoxyphenyl)methyl]-1-{5-oxo-5H6H7H8H9H-[134]thiadiazolo[23-b]quinazolin-2-yl}piperidine-3-carboxamide
SMILES
CCOc1ccc(CNC(C(CCC2)CN2C(SC2=NC3=C4CCCC3)=NN2C4=O)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
467.59
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.796
Distribution Coefficient, logD
2.795
Water Solubility, LogSw
-3.26
Polar Surface Area
72.279
Acid Dissociation Constant (pKa)
13.50
Base Dissociation Constant (pKb)
-5.68
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
L244-0168 in Drug Discovery
Included in Screening Libraries
Cysteine Proteases Inhibitors Library (7839 compounds)
SmartTM Library (51161 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Cardiovascular
- Skin
- Metabolic
- Endocrine
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with L244-0168 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)