D167-0136 Screening compound: (1S,3S,6S,7S,9R)-N~9~-{3-[(dibenzylamino)carbonyl]phenyl}-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D167-0136
(1S,3S,6S,7S,9R)-N~9~-{3-[(dibenzylamino)carbonyl]phenyl}-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide
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
D167-0136
Molecular Formula
C30H28N2O4 (C30 H28 N2 O4)
Compound Name
(1S,3S,6S,7S,9R)-N~9~-{3-[(dibenzylamino)carbonyl]phenyl}-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide
IUPAC name
(1S3S6S7S9R)-N-[3-(dibenzylcarbamoyl)phenyl]-5-oxo-4-oxatricyclo[4.2.1.0^{37}]nonane-9-carboxamide
SMILES
O=C([C@H]([C@@H](C[C@@H]12)C[C@@H]2O2)[C@H]1C2=O)Nc1cc(C(N(Cc2ccccc2)Cc2ccccc2)=O)ccc1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
480.56
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.996
Distribution Coefficient, logD
3.996
Water Solubility, LogSw
-4.35
Polar Surface Area
61.709
Acid Dissociation Constant (pKa)
11.96
Base Dissociation Constant (pKb)
-1.94
Number of Chiral Centers
5.00
Percent sp3 carbon bonding
30.00
D167-0136 in Drug Discovery
Included in Screening Libraries
3D Mimetics PPI Library (1617 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Epigenetics Focused Set (26518 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Mimetics
- 3D
- Cyclic compounds
- Cyclic compounds
- Mimetics
- Cancer
- Female
- Congenital
- Skin
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Kinases
- PPI modulators
- PPI modulators
- Epigenetic
- PPI modulators
References: we are preparing a list of scientific research reports with D167-0136 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)