D011-5326 Screening compound: N-(3-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)-2-phenylacetamide
Chemical Structure Depiction of ChemDiv screening compound D011-5326
N-(3-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)-2-phenylacetamide
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
D011-5326
Molecular Formula
C25H24ClN3O (C25 H24 ClN3 O)
Compound Name
N-(3-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)-2-phenylacetamide
IUPAC name
N-(3-{1-[(4-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}propyl)-2-phenylacetamide
SMILES
O=C(Cc1ccccc1)NCCCc1nc(cccc2)c2n1Cc(cc1)ccc1Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
417.94
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.833
Distribution Coefficient, logD
4.830
Water Solubility, LogSw
-4.99
Polar Surface Area
35.185
Acid Dissociation Constant (pKa)
14.48
Base Dissociation Constant (pKb)
5.35
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
D011-5326 in Drug Discovery
Included in Screening Libraries
Adenosine Receptors Targeted Library (19896 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with D011-5326 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)