5921-0200 Screening compound: 5-(2-furyl)-8-piperidino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Chemical Structure Depiction of ChemDiv screening compound 5921-0200
5-(2-furyl)-8-piperidino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
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
5921-0200
Molecular Formula
C22H22N4OS (C22 H22 N4 OS)
Compound Name
5-(2-furyl)-8-piperidino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
IUPAC name
8-(furan-2-yl)-13-(piperidin-1-yl)-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaene
SMILES
C(CC1)CCN1c1c2sc3nc(-c4ccco4)c(CCCC4)c4c3c2ncn1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
390.51
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.909
Distribution Coefficient, logD
5.907
Water Solubility, LogSw
-6.10
Polar Surface Area
42.638
Acid Dissociation Constant (pKa)
20.62
Base Dissociation Constant (pKb)
5.19
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.90
5921-0200 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Akt-Targeted Library (14764 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- GPCR
- Kinases
- Phosphatases
- Receptor's ligands
References: we are preparing a list of scientific research reports with 5921-0200 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)