G856-8983 Screening compound: 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
Chemical Structure Depiction of ChemDiv screening compound G856-8983
2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
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
G856-8983
Molecular Formula
C17H19N3O4S (C17 H19 N3 O4 S)
Compound Name
2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
IUPAC name
2-[4-(56-dihydro-14-dioxine-2-carbonyl)piperazin-1-yl]-6-methoxy-13-benzothiazole
SMILES
COc(cc1)cc2c1nc(N(CC1)CCN1C(C1=COCCO1)=O)s2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
361.42
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.937
Distribution Coefficient, logD
1.937
Water Solubility, LogSw
-2.70
Polar Surface Area
54.638
Acid Dissociation Constant (pKa)
23.78
Base Dissociation Constant (pKb)
4.11
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
41.20
G856-8983 in Drug Discovery
Included in Screening Libraries
Protein Arginine Methyltransferases Library (27925 compounds)
Soluble Diversity Library (15920 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Others
- Kinases
- Epigenetic
References: we are preparing a list of scientific research reports with G856-8983 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)