D466-0368 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methoxybenzamide
Chemical Structure Depiction of ChemDiv screening compound D466-0368
N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methoxybenzamide
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
D466-0368
Molecular Formula
C21H24N4O2 (C21 H24 N4 O2)
Compound Name
N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methoxybenzamide
IUPAC name
2-methoxy-N-[11-(propan-2-yl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl]benzamide
SMILES
CC(C)N1Cc2nc(cc(cc3)NC(c(cccc4)c4OC)=O)c3n2CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
364.45
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.183
Distribution Coefficient, logD
3.142
Water Solubility, LogSw
-3.68
Polar Surface Area
45.959
Acid Dissociation Constant (pKa)
9.70
Base Dissociation Constant (pKb)
6.37
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
D466-0368 in Drug Discovery
Included in Screening Libraries
CNS BBB Library (22607 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Nervous system
- Cardiovascular
- Kinases
- Ion Channels
References: we are preparing a list of scientific research reports with D466-0368 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)