D512-0160 Screening compound: (4aR,7aS)-1-(4-ethylphenyl)-4-(4-fluorophenethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of ChemDiv screening compound D512-0160
(4aR,7aS)-1-(4-ethylphenyl)-4-(4-fluorophenethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
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
D512-0160
Molecular Formula
C22H25FN2O3S (C22 H25 FN2 O3 S)
Compound Name
(4aR,7aS)-1-(4-ethylphenyl)-4-(4-fluorophenethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
IUPAC name
(4aR7aS)-1-(4-ethylphenyl)-4-[2-(4-fluorophenyl)ethyl]-octahydro-6lambda6-thieno[34-b]pyrazine-266-trione
SMILES
CCc(cc1)ccc1N([C@@H](CS(C1)(=O)=O)[C@@H]1N(CCc(cc1)ccc1F)C1)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
416.52
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.420
Distribution Coefficient, logD
2.420
Water Solubility, LogSw
-2.60
Polar Surface Area
46.897
Acid Dissociation Constant (pKa)
19.35
Base Dissociation Constant (pKb)
-0.39
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
40.90
D512-0160 in Drug Discovery
Included in Screening Libraries
3D Mimetics PPI Library (1617 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Protein-Protein Interaction Library (218420 compounds)
Epigenetics Focused Set (26518 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Mimetics
- 3D
- Mimetics
- Mimetics
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with D512-0160 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)