L850-1577 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound L850-1577
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
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
L850-1577
Molecular Formula
C22H20N6O4S (C22 H20 N6 O4 S)
Compound Name
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
IUPAC name
N-(23-dihydro-14-benzodioxin-6-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-124-oxadiazol-5-yl]-4H-124-triazol-3-yl}sulfanyl)acetamide
SMILES
Cc(cc1)ccc1-c1noc(-c(n2C)nnc2SCC(Nc(cc2)cc3c2OCCO3)=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
464.5
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
2.884
Distribution Coefficient, logD
2.884
Water Solubility, LogSw
-3.30
Polar Surface Area
95.701
Acid Dissociation Constant (pKa)
11.49
Base Dissociation Constant (pKb)
0.76
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
22.70
L850-1577 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with L850-1577 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)