T409-0574 Screening compound: 6-(azepane-1-carbonyl)-2-(4-cyclobutanecarbonylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole
Chemical Structure Depiction of ChemDiv screening compound T409-0574
6-(azepane-1-carbonyl)-2-(4-cyclobutanecarbonylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole
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
T409-0574
Molecular Formula
C23H34N4O2S (C23 H34 N4 O2 S)
Compound Name
6-(azepane-1-carbonyl)-2-(4-cyclobutanecarbonylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole
IUPAC name
6-(azepane-1-carbonyl)-2-(4-cyclobutanecarbonylpiperazin-1-yl)-4567-tetrahydro-13-benzothiazole
SMILES
O=C(C1CCC1)N(CC1)CCN1c1nc(CCC(C2)C(N3CCCCCC3)=O)c2s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
430.61
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
3.368
Distribution Coefficient, logD
3.262
Water Solubility, LogSw
-3.24
Polar Surface Area
48.891
Acid Dissociation Constant (pKa)
21.61
Base Dissociation Constant (pKb)
6.84
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
78.30
T409-0574 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
GPCR Targeted Library (31838 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Akt-Targeted Library (14764 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Nervous system
- Cardiovascular
- GPCR
- Others
- Kinases
- Ion Channels
- Receptor's ligands
- PPI modulators
- Epigenetic
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with T409-0574 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)