S629-1640 Screening compound: N-cyclopropyl-3-[4-(2,6-dimethoxypyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of ChemDiv screening compound S629-1640
N-cyclopropyl-3-[4-(2,6-dimethoxypyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]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
S629-1640
Molecular Formula
C23H27N3O5 (C23 H27 N3 O5)
Compound Name
N-cyclopropyl-3-[4-(2,6-dimethoxypyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
IUPAC name
N-cyclopropyl-3-[4-(26-dimethoxypyridine-3-carbonyl)-2345-tetrahydro-14-benzoxazepin-7-yl]propanamide
SMILES
COc(cc1)nc(OC)c1C(N1Cc(cc(CCC(NC2CC2)=O)cc2)c2OCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
425.48
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.034
Distribution Coefficient, logD
3.034
Water Solubility, LogSw
-3.35
Polar Surface Area
73.448
Acid Dissociation Constant (pKa)
13.24
Base Dissociation Constant (pKb)
-0.49
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
43.48
S629-1640 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S629-1640 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)