C712-0304 Screening compound: 9-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C712-0304
9-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-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
C712-0304
Molecular Formula
C22H28N2O2S (C22 H28 N2 O2 S)
Compound Name
9-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
IUPAC name
9-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-4H-thieno[32-c]chromene-2-carboxamide
SMILES
CC1CN(CCCNC(c2cc(COc3c-4c(C)ccc3)c4s2)=O)CCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
384.54
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.861
Distribution Coefficient, logD
1.290
Water Solubility, LogSw
-4.02
Polar Surface Area
37.526
Acid Dissociation Constant (pKa)
15.86
Base Dissociation Constant (pKb)
9.97
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
C712-0304 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
CNS targets activity set (6557 compounds)
Human GPCR Annotated Library (5539 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with C712-0304 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)