Y509-0501 Screening compound: 3-({[3-(ethoxycarbonyl)-4-(1-naphthyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound Y509-0501
3-({[3-(ethoxycarbonyl)-4-(1-naphthyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
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
Y509-0501
Molecular Formula
C25H23NO6S (C25 H23 NO6 S)
Compound Name
3-({[3-(ethoxycarbonyl)-4-(1-naphthyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
IUPAC name
n/a
SMILES
CCOC(c1c(NC(C(C2OC3CC2)C3C(O)=O)=O)scc1-c1cccc2ccccc12)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
465.53
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.692
Distribution Coefficient, logD
3.176
Water Solubility, LogSw
-6.46
Polar Surface Area
80.367
Acid Dissociation Constant (pKa)
4.89
Base Dissociation Constant (pKb)
-7.06
Number of Chiral Centers
4.00
Percent sp3 carbon bonding
32.00
References: we are preparing a list of scientific research reports with Y509-0501 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)