S787-1719 Screening compound: 3-(4-{[1-(4-cyanobenzoyl)piperidin-4-yl]methyl}phenyl)-N-(cyclopropylmethyl)propanamide
Chemical Structure Depiction of ChemDiv screening compound S787-1719
3-(4-{[1-(4-cyanobenzoyl)piperidin-4-yl]methyl}phenyl)-N-(cyclopropylmethyl)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
S787-1719
Molecular Formula
C27H31N3O2 (C27 H31 N3 O2)
Compound Name
3-(4-{[1-(4-cyanobenzoyl)piperidin-4-yl]methyl}phenyl)-N-(cyclopropylmethyl)propanamide
IUPAC name
3-(4-{[1-(4-cyanobenzoyl)piperidin-4-yl]methyl}phenyl)-N-(cyclopropylmethyl)propanamide
SMILES
N#Cc(cc1)ccc1C(N1CCC(Cc2ccc(CCC(NCC3CC3)=O)cc2)CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
429.56
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.870
Distribution Coefficient, logD
3.870
Water Solubility, LogSw
-4.18
Polar Surface Area
58.395
Acid Dissociation Constant (pKa)
15.51
Base Dissociation Constant (pKb)
6.15
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
44.44
S787-1719 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Lipid Metabolism Library (9174 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cardiovascular
- Metabolic
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- PPI modulators
- PPI modulators
- Receptor's ligands
- Nuclear receptors
References: we are preparing a list of scientific research reports with S787-1719 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)