D549-2577 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
Chemical Structure Depiction of ChemDiv screening compound D549-2577
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
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
D549-2577
Molecular Formula
C22H28N6O2S2 (C22 H28 N6 O2 S2)
Compound Name
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
IUPAC name
2-[(5-{3-aminothieno[23-b]pyridin-2-yl}-4-[(oxolan-2-yl)methyl]-4H-124-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
SMILES
Nc1c(-c(n2CC3OCCC3)nnc2SCC(NC2CCCCC2)=O)sc2ncccc12
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
472.64
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.910
Distribution Coefficient, logD
2.909
Water Solubility, LogSw
-3.16
Polar Surface Area
86.359
Acid Dissociation Constant (pKa)
15.76
Base Dissociation Constant (pKb)
4.96
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
54.50
D549-2577 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Lipid Metabolism Library (9174 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cardiovascular
- Metabolic
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with D549-2577 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)