H025-0354C Screening compound: 3-({1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}methyl)pyridine
Chemical Structure Depiction of ChemDiv screening compound H025-0354C
3-({1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}methyl)pyridine
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
H025-0354C
Molecular Formula
C18H19N3 (C18 H19 N3)
Compound Name
3-({1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}methyl)pyridine
IUPAC name
3-({1H2H3H4H5H6H-azepino[43-b]indol-6-yl}methyl)pyridine
SMILES
C(c1cccnc1)n1c(cccc2)c2c2c1CCCNC2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
277.37
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.303
Distribution Coefficient, logD
-2.954
Water Solubility, LogSw
-1.96
Polar Surface Area
23.085
Acid Dissociation Constant (pKa)
24.62
Base Dissociation Constant (pKb)
12.66
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.80
H025-0354C in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Anti-Aging Library (44940 compounds)
Anticancer Library (62698 compounds)
BRD4 Targeted Library (4534 compounds)
DGK Inhibitors Library (10558 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Cancer
- Cancer
- Hemic and lymphatic
- Cardiovascular
- Metabolic
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Kinases
- Others
- Kinases
- Epigenetic
References: we are preparing a list of scientific research reports with H025-0354C 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)