SB66-1093 Screening compound: (5aR,8aR)-1-benzyl-7-(3,5-dimethoxybenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of ChemDiv screening compound SB66-1093
(5aR,8aR)-1-benzyl-7-(3,5-dimethoxybenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
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
SB66-1093
Molecular Formula
C24H28N2O4 (C24 H28 N2 O4)
Compound Name
(5aR,8aR)-1-benzyl-7-(3,5-dimethoxybenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
IUPAC name
(5aR8aR)-1-benzyl-7-(35-dimethoxybenzoyl)-decahydropyrrolo[34-b]azepin-2-one
SMILES
COc1cc(C(N(C[C@H]2CCC3)C[C@@H]2N(Cc2ccccc2)C3=O)=O)cc(OC)c1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
408.5
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.819
Distribution Coefficient, logD
2.819
Water Solubility, LogSw
-3.24
Polar Surface Area
48.272
Acid Dissociation Constant (pKa)
23.63
Base Dissociation Constant (pKb)
-2.66
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
41.67
SB66-1093 in Drug Discovery
Included in Screening Libraries
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with SB66-1093 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)