T831-0217 Screening compound: N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-3-methylbutanamide
Chemical Structure Depiction of ChemDiv screening compound T831-0217
N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-3-methylbutanamide
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
T831-0217
Molecular Formula
C19H28N2O2 (C19 H28 N2 O2)
Compound Name
N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-3-methylbutanamide
IUPAC name
N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-3-methylbutanamide
SMILES
CC(C)CC(NCC(CC1)CCN(Cc2ccccc2)C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
316.44
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.473
Distribution Coefficient, logD
2.473
Water Solubility, LogSw
-2.58
Polar Surface Area
41.937
Acid Dissociation Constant (pKa)
14.40
Base Dissociation Constant (pKb)
0.88
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
57.90
T831-0217 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Anti-HIV1 Library (19540 compounds)
Antibacterial Compounds Library (13827 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Antiviral
- Infections
- Immune system
- Infections
- Immune system
- animal
- Cyclic compounds
References: we are preparing a list of scientific research reports with T831-0217 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)