S515-0278 Screening compound: 2-methyl-7-oxoazepane-2-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound S515-0278
2-methyl-7-oxoazepane-2-carboxylic acid
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
S515-0278
Molecular Formula
C8H13NO3 (C8 H13 NO3)
Compound Name
2-methyl-7-oxoazepane-2-carboxylic acid
IUPAC name
2-methyl-7-oxoazepane-2-carboxylic acid
SMILES
CC(CCCC1)(C(O)=O)NC1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
171.2
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
-0.198
Distribution Coefficient, logD
-3.579
Water Solubility, LogSw
-0.60
Polar Surface Area
54.414
Acid Dissociation Constant (pKa)
4.02
Base Dissociation Constant (pKb)
-0.35
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
75.00
S515-0278 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- PPI modulators
- PPI modulators
- Cancer
References: we are preparing a list of scientific research reports with S515-0278 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)