SB66-1020 Screening compound: (5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-1-(3-fluorobenzyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of ChemDiv screening compound SB66-1020
(5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-1-(3-fluorobenzyl)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
SB66-1020
Molecular Formula
C22H27FN4O2 (C22 H27 FN4 O2)
Compound Name
(5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-1-(3-fluorobenzyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
IUPAC name
(5aR8aR)-7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-1-[(3-fluorophenyl)methyl]-decahydropyrrolo[34-b]azepin-2-one
SMILES
CCn1ncc(C(N(C[C@H]2CCC3)C[C@@H]2N(Cc2cccc(F)c2)C3=O)=O)c1C
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
398.48
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.928
Distribution Coefficient, logD
1.928
Water Solubility, LogSw
-2.44
Polar Surface Area
47.109
Acid Dissociation Constant (pKa)
23.63
Base Dissociation Constant (pKb)
2.50
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
50.00
SB66-1020 in Drug Discovery
Included in Screening Libraries
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with SB66-1020 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)