8014-6136 Screening compound: 2-ethoxy-4-{[5-oxo-2-phenyl-1,3-oxazol-4(5H)-yliden]methyl}phenyl butyrate

8014-6136 Screening compound: 2-ethoxy-4-{[5-oxo-2-phenyl-1,3-oxazol-4(5H)-yliden]methyl}phenyl butyrate
8014-6136 Screening compound: 2-ethoxy-4-{[5-oxo-2-phenyl-1,3-oxazol-4(5H)-yliden]methyl}phenyl butyrate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6136
2-ethoxy-4-{[5-oxo-2-phenyl-1,3-oxazol-4(5H)-yliden]methyl}phenyl butyrate

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

8014-6136

Molecular Formula

C22H21NO5 (C22 H21 NO5)

Compound Name

2-ethoxy-4-{[5-oxo-2-phenyl-1,3-oxazol-4(5H)-yliden]methyl}phenyl butyrate

IUPAC name

2-ethoxy-4-{[(4E)-5-oxo-2-phenyl-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl butanoate

SMILES

CCCC(Oc(ccc(/C=C1/N=C(c2ccccc2)OC1=O)c1)c1OCC)=O

InChI

InChI=1S/C22H21NO5/c1-3-8-20(24)27-18-12-11-15(14-19(18)26-4-2)13-17-22(25)28-21(23-17)16-9-6-5-7-10-16/h5-7,9-14H,3-4,8H2,1-2H3

InChI Key

HFDJHQUMLVAXMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.902

Distribution Coefficient, logD

3.902

Water Solubility, LogSw

-4.02

Polar Surface Area

57.727

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

References: we are preparing a list of scientific research reports with 8014-6136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6136?
Check Price and Availability of 8014-6136, 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 8014-6136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6136
  • 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 8014-6136 available by request