C380-0812 Screening compound: 10-(4-ethoxybenzyl)-8-[(4-methylpiperazino)carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of ChemDiv screening compound C380-0812
10-(4-ethoxybenzyl)-8-[(4-methylpiperazino)carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-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
C380-0812
Molecular Formula
C28H29N3O3S (C28 H29 N3 O3 S)
Compound Name
10-(4-ethoxybenzyl)-8-[(4-methylpiperazino)carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
IUPAC name
9-[(4-ethoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-10-one
SMILES
CCOc1ccc(CN(c(cc(cc2)C(N3CCN(C)CC3)=O)c2Sc2c3cccc2)C3=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
487.62
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.362
Distribution Coefficient, logD
4.232
Water Solubility, LogSw
-4.22
Polar Surface Area
42.649
Acid Dissociation Constant (pKa)
26.76
Base Dissociation Constant (pKb)
6.95
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
C380-0812 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
KRAS-Targeted Library (16000 compounds)
Protein-Protein Interaction Library (218420 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Kinases
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with C380-0812 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)