D305-0791 Screening compound: N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide
Chemical Structure Depiction of ChemDiv screening compound D305-0791
N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide
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
D305-0791
Molecular Formula
C24H29N5O2 (C24 H29 N5 O2)
Compound Name
N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide
IUPAC name
N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-13-benzodiazol-5-yl}benzamide
SMILES
CCC(N1CCN(Cc2nc(cc(cc3)NC(c4ccccc4)=O)c3n2CC)CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
419.53
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.830
Distribution Coefficient, logD
2.824
Water Solubility, LogSw
-3.33
Polar Surface Area
54.164
Acid Dissociation Constant (pKa)
10.98
Base Dissociation Constant (pKb)
5.54
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
37.50
D305-0791 in Drug Discovery
Included in Screening Libraries
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
PI3K-Targeted Library (17255 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Mimetics
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with D305-0791 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)