3512-0039 Screening compound: 2-methoxy-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl propanoate

3512-0039 Screening compound: 2-methoxy-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl propanoate
3512-0039 Screening compound: 2-methoxy-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3512-0039
2-methoxy-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl propanoate

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

3512-0039

Molecular Formula

C20H17NO5 (C20 H17 NO5)

Compound Name

2-methoxy-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl propanoate

IUPAC name

2-methoxy-4-{[(4Z)-5-oxo-2-phenyl-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl propanoate

SMILES

CCC(Oc(ccc(/C=C1\N=C(c2ccccc2)OC1=O)c1)c1OC)=O

InChI

InChI=1S/C20H17NO5/c1-3-18(22)25-16-10-9-13(12-17(16)24-2)11-15-20(23)26-19(21-15)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3

InChI Key

YKDJLOKQTBPTDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01190960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

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

3.239

Distribution Coefficient, logD

3.239

Water Solubility, LogSw

-3.55

Polar Surface Area

58.147

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 3512-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3512-0039?
Check Price and Availability of 3512-0039, 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 3512-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3512-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3512-0039
  • 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 3512-0039 available by request