C607-0855 Screening compound: 2-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
Chemical Structure Depiction of ChemDiv screening compound C607-0855
2-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
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
C607-0855
Molecular Formula
C20H21N3O2S (C20 H21 N3 O2 S)
Compound Name
2-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
IUPAC name
11-(5678-tetrahydronaphthalene-2-sulfonyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene
SMILES
O=S(c1cc(CCCC2)c2cc1)(N1Cc2nc(cccc3)c3n2CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
367.47
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.081
Distribution Coefficient, logD
3.872
Water Solubility, LogSw
-4.31
Polar Surface Area
42.813
Acid Dissociation Constant (pKa)
23.84
Base Dissociation Constant (pKb)
7.19
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.00
C607-0855 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-infective Library (19449 compounds)
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
DGK Inhibitors Library (10558 compounds)
GPCR Targeted Library (31838 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Kinases
- GPCR
- Others
- Receptor's ligands
- Epigenetic
References: we are preparing a list of scientific research reports with C607-0855 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)