E002-0792 Screening compound: 3-(cyclohexylamino)-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile
Chemical Structure Depiction of ChemDiv screening compound E002-0792
3-(cyclohexylamino)-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile
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
E002-0792
Molecular Formula
C19H21N5O (C19 H21 N5 O)
Compound Name
3-(cyclohexylamino)-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile
IUPAC name
3-(cyclohexylamino)-2-(4-methoxyphenyl)-1H-pyrazolo[15-a]imidazole-7-carbonitrile
SMILES
COc(cc1)ccc1-c1c(NC2CCCCC2)n2ncc(C#N)c2[nH]1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
335.41
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.674
Distribution Coefficient, logD
3.674
Water Solubility, LogSw
-3.85
Polar Surface Area
55.935
Acid Dissociation Constant (pKa)
11.20
Base Dissociation Constant (pKb)
2.66
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
36.80
E002-0792 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-Inflammatory Library (24602 compounds)
Anticancer Library (62698 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
New Agro Library (44492 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Immune system
- Cancer
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Proteases
- Agro
References: we are preparing a list of scientific research reports with E002-0792 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)