G209-0042 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-4-{3,4-DIMETHYL-2-PHENYL-2H-PYRAZOLO[3,4-D]PYRIDAZIN-7-YL}PIPERAZINE-1-CARBOXAMIDE
Chemical Structure Depiction of ChemDiv screening compound G209-0042
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-4-{3,4-DIMETHYL-2-PHENYL-2H-PYRAZOLO[3,4-D]PYRIDAZIN-7-YL}PIPERAZINE-1-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
G209-0042
Molecular Formula
C26H27N7O3 (C26 H27 N7 O3)
Compound Name
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-4-{3,4-DIMETHYL-2-PHENYL-2H-PYRAZOLO[3,4-D]PYRIDAZIN-7-YL}PIPERAZINE-1-CARBOXAMIDE
IUPAC name
n/a
SMILES
Cc(n(-c1ccccc1)nc12)c2c(C)nnc1N(CC1)CCN1C(Nc(cc1)cc2c1OCCO2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
485.55
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
2.288
Distribution Coefficient, logD
2.263
Water Solubility, LogSw
-3.15
Polar Surface Area
81.370
Acid Dissociation Constant (pKa)
12.72
Base Dissociation Constant (pKb)
6.17
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.80
G209-0042 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Protein-Protein Interaction Library (218420 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- GPCR
- GPCR
- Receptor's ligands
- PPI modulators
- Receptor's ligands
References: we are preparing a list of scientific research reports with G209-0042 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)