SA12-0136 Screening compound: 12-[(3,4-DIMETHOXYPHENYL)SULFONYL]-4-ETHYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE
Chemical Structure Depiction of ChemDiv screening compound SA12-0136
12-[(3,4-DIMETHOXYPHENYL)SULFONYL]-4-ETHYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE
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
SA12-0136
Molecular Formula
C18H24N4O4S (C18 H24 N4 O4 S)
Compound Name
12-[(3,4-DIMETHOXYPHENYL)SULFONYL]-4-ETHYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE
IUPAC name
12-(34-dimethoxybenzenesulfonyl)-4-ethyl-35612-tetraazatricyclo[7.2.1.0^{37}]dodeca-46-diene
SMILES
S(N1[C@H]2Cn3c(nnc3CC)C[C@@H]1CC2)(c1cc(c(cc1)OC)OC)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
392.48
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
0.621
Distribution Coefficient, logD
0.621
Water Solubility, LogSw
-2.27
Polar Surface Area
73.649
Acid Dissociation Constant (pKa)
20.27
Base Dissociation Constant (pKb)
3.99
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
55.60
SA12-0136 in Drug Discovery
Included in Screening Libraries
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with SA12-0136 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)