2367-1157 Screening compound: 1-amino-2-cyano-3-(1-naphthyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
Chemical Structure Depiction of ChemDiv screening compound 2367-1157
1-amino-2-cyano-3-(1-naphthyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
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
2367-1157
Molecular Formula
C23H13N5 (C23 H13 N5)
Compound Name
1-amino-2-cyano-3-(1-naphthyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
IUPAC name
13-amino-11-(naphthalen-1-yl)-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-1012-dicarbonitrile
SMILES
Nc(n1c(c(C#N)c2-c3cccc4ccccc34)nc3c1cccc3)c2C#N
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
359.39
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.336
Distribution Coefficient, logD
4.336
Water Solubility, LogSw
-4.80
Polar Surface Area
60.872
Acid Dissociation Constant (pKa)
17.20
Base Dissociation Constant (pKb)
-0.15
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
2367-1157 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
C-Met Library (15277 compounds)
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Endocrine
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
- Kinases
- Receptor's ligands
References: we are preparing a list of scientific research reports with 2367-1157 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)