8014-0696 Screening compound: 4-{(E)-1-[3-methoxy-2-(1-naphthylmethoxy)phenyl]methylidene}-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one

8014-0696 Screening compound: 4-{(E)-1-[3-methoxy-2-(1-naphthylmethoxy)phenyl]methylidene}-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
8014-0696 Screening compound: 4-{(E)-1-[3-methoxy-2-(1-naphthylmethoxy)phenyl]methylidene}-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0696
4-{(E)-1-[3-methoxy-2-(1-naphthylmethoxy)phenyl]methylidene}-2-(4-methylphenyl)-1,3-oxazol-5(4H)-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

8014-0696

Molecular Formula

C29H23NO4 (C29 H23 NO4)

Compound Name

4-{(E)-1-[3-methoxy-2-(1-naphthylmethoxy)phenyl]methylidene}-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one

IUPAC name

(4E)-4-({3-methoxy-2-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-2-(4-methylphenyl)-45-dihydro-13-oxazol-5-one

SMILES

Cc(cc1)ccc1C(OC1=O)=N/C1=C/c(cccc1OC)c1OCc1cccc2ccccc12

InChI

InChI=1S/C29H23NO4/c1-19-13-15-21(16-14-19)28-30-25(29(31)34-28)17-22-9-6-12-26(32-2)27(22)33-18-23-10-5-8-20-7-3-4-11-24(20)23/h3-17H,18H2,1-2H3

InChI Key

JSSUESDZFUKREF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02581384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.179

Distribution Coefficient, logD

6.179

Water Solubility, LogSw

-6.71

Polar Surface Area

45.135

Acid Dissociation Constant (pKa)

28.22

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.34

8014-0696 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8014-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0696?
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What is the minimum amount of 8014-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0696
  • 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 8014-0696 available by request