8014-5061 Screening compound: 2-ethoxy-4-{[(4E)-3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate

8014-5061 Screening compound: 2-ethoxy-4-{[(4E)-3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
8014-5061 Screening compound: 2-ethoxy-4-{[(4E)-3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5061
2-ethoxy-4-{[(4E)-3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate

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

8014-5061

Molecular Formula

C18H15NO5S (C18 H15 NO5 S)

Compound Name

2-ethoxy-4-{[(4E)-3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate

IUPAC name

2-ethoxy-4-{[(4E)-3-methyl-5-oxo-45-dihydro-12-oxazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate

SMILES

CCOc(cc(/C=C(\C(C)=NO1)/C1=O)cc1)c1OC(c1cccs1)=O

InChI

InChI=1S/C18H15NO5S/c1-3-22-15-10-12(9-13-11(2)19-24-17(13)20)6-7-14(15)23-18(21)16-5-4-8-25-16/h4-10H,3H2,1-2H3

InChI Key

XBJUGAJTMFCPPS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.34

Polar Surface Area

63.829

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8014-5061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5061?
Check Price and Availability of 8014-5061, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-5061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5061
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8014-5061 available by request