7790-0759 Screening compound: 1-[3-(4-methylphenyl)-2-(morpholin-4-yl)-8H-thieno[2,3-b]indol-8-yl]ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound 7790-0759
1-[3-(4-methylphenyl)-2-(morpholin-4-yl)-8H-thieno[2,3-b]indol-8-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
7790-0759
Molecular Formula
C23H22N2O2S (C23 H22 N2 O2 S)
Compound Name
1-[3-(4-methylphenyl)-2-(morpholin-4-yl)-8H-thieno[2,3-b]indol-8-yl]ethan-1-one
IUPAC name
1-[3-(4-methylphenyl)-2-(morpholin-4-yl)-8H-thieno[23-b]indol-8-yl]ethan-1-one
SMILES
CC(n(c1c2cccc1)c1c2c(-c2ccc(C)cc2)c(N2CCOCC2)s1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
390.51
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.830
Distribution Coefficient, logD
4.830
Water Solubility, LogSw
-5.09
Polar Surface Area
27.614
Acid Dissociation Constant (pKa)
19.26
Base Dissociation Constant (pKb)
0.65
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.10
7790-0759 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Cardiovascular Library (22201 compounds)
Immunological Library (6760 compounds)
PI3K-Targeted Library (17255 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Included in 1.7M Stock Database
- Cardiovascular
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Kinases
- Others
References: we are preparing a list of scientific research reports with 7790-0759 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)