E456-0905 Screening compound: N-(2-cyanophenyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E456-0905
N-(2-cyanophenyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-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
E456-0905
Molecular Formula
C25H23N3O2S (C25 H23 N3 O2 S)
Compound Name
N-(2-cyanophenyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
IUPAC name
N-(2-cyanophenyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carboxamide
SMILES
CC(C)CN(C(C(C(Nc(cccc1)c1C#N)=O)c1c2cccc1)c1cccs1)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
429.54
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.534
Distribution Coefficient, logD
4.498
Water Solubility, LogSw
-4.27
Polar Surface Area
56.391
Acid Dissociation Constant (pKa)
8.46
Base Dissociation Constant (pKb)
-3.60
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
24.00
E456-0905 in Drug Discovery
Included in Screening Libraries
Serine Proteases Inhibitors Library (32732 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Cancer
- Proteases
- PPI modulators
References: we are preparing a list of scientific research reports with E456-0905 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)