E975-1564 Screening compound: 7-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
Chemical Structure Depiction of ChemDiv screening compound E975-1564
7-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-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
E975-1564
Molecular Formula
C20H20N2O3S2 (C20 H20 N2 O3 S2)
Compound Name
7-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
IUPAC name
7-[(4-phenyl-1236-tetrahydropyridin-1-yl)sulfonyl]-2345-tetrahydro-15-benzothiazepin-4-one
SMILES
O=C1Nc(cc(cc2)S(N(CC3)CC=C3c3ccccc3)(=O)=O)c2SCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
400.52
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.565
Distribution Coefficient, logD
3.565
Water Solubility, LogSw
-3.85
Polar Surface Area
56.830
Acid Dissociation Constant (pKa)
10.62
Base Dissociation Constant (pKb)
-3.87
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.00
E975-1564 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
KRAS-Targeted Library (16000 compounds)
Protein-Protein Interaction Library (218420 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Kinases
- Kinases
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with E975-1564 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)