6217-3109 Screening compound: (5E)-2-(4-butoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-4-one

6217-3109 Screening compound: (5E)-2-(4-butoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-4-one
6217-3109 Screening compound: (5E)-2-(4-butoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6217-3109
(5E)-2-(4-butoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-4-one

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

6217-3109

Molecular Formula

C23H25NO6 (C23 H25 NO6)

Compound Name

(5E)-2-(4-butoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-4-one

IUPAC name

(5E)-2-(4-butoxyphenyl)-5-[(345-trimethoxyphenyl)methylidene]-45-dihydro-13-oxazol-4-one

SMILES

CCCCOc(cc1)ccc1C(O/C1=C/c(cc2OC)cc(OC)c2OC)=NC1=O

InChI

InChI=1S/C23H25NO6/c1-5-6-11-29-17-9-7-16(8-10-17)23-24-22(25)20(30-23)14-15-12-18(26-2)21(28-4)19(13-15)27-3/h7-10,12-14H,5-6,11H2,1-4H3

InChI Key

AYUPFIYOGNLGJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07546146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.213

Distribution Coefficient, logD

4.213

Water Solubility, LogSw

-4.31

Polar Surface Area

61.431

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 6217-3109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6217-3109?
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What is the minimum amount of 6217-3109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6217-3109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6217-3109
  • 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 6217-3109 available by request