J101-0320 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide
Chemical Structure Depiction of ChemDiv screening compound J101-0320
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide
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
J101-0320
Molecular Formula
C19H20N4O3 (C19 H20 N4 O3)
Compound Name
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide
IUPAC name
3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-[2-(pyridin-2-yl)ethyl]propanamide
SMILES
O=C(CC[C@H](C(Nc1c2cccc1)=O)NC2=O)NCCc1ncccc1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
352.39
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.944
Distribution Coefficient, logD
0.929
Water Solubility, LogSw
-2.16
Polar Surface Area
84.807
Acid Dissociation Constant (pKa)
9.01
Base Dissociation Constant (pKb)
5.45
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
26.30
J101-0320 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Antiviral
- Infections
- Immune system
- Cancer
- Hemic and lymphatic
- Kinases
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with J101-0320 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)