Y070-3477 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-methylbenzyl)-2-furamide
Chemical Structure Depiction of ChemDiv screening compound Y070-3477
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-methylbenzyl)-2-furamide
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
Y070-3477
Molecular Formula
C17H19NO4S (C17 H19 NO4 S)
Compound Name
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-methylbenzyl)-2-furamide
IUPAC name
N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(4-methylphenyl)methyl]furan-2-carboxamide
SMILES
Cc1ccc(CN(C(CC2)CS2(=O)=O)C(c2ccco2)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
333.41
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
1.594
Distribution Coefficient, logD
1.594
Water Solubility, LogSw
-2.17
Polar Surface Area
52.438
Acid Dissociation Constant (pKa)
20.33
Base Dissociation Constant (pKb)
-5.01
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
35.30
Y070-3477 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
CNS MPO Library (28609 compounds)
Cardiovascular Library (22201 compounds)
Dark Chemical Matter Library (18430 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Nervous system
- Cardiovascular
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- Epigenetic
- Receptor's ligands
- Pool
- Nuclear receptors
References: we are preparing a list of scientific research reports with Y070-3477 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)