8016-3696 Screening compound: 3-(3-methoxybenzyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2(3H)-one

8016-3696 Screening compound: 3-(3-methoxybenzyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2(3H)-one
8016-3696 Screening compound: 3-(3-methoxybenzyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3696
3-(3-methoxybenzyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2(3H)-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

8016-3696

Molecular Formula

C25H23NO5 (C25 H23 NO5)

Compound Name

3-(3-methoxybenzyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2(3H)-one

IUPAC name

45-bis(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-23-dihydro-13-oxazol-2-one

SMILES

COc(cc1)ccc1C(N1Cc2cc(OC)ccc2)=C(c(cc2)ccc2OC)OC1=O

InChI

InChI=1S/C25H23NO5/c1-28-20-11-7-18(8-12-20)23-24(19-9-13-21(29-2)14-10-19)31-25(27)26(23)16-17-5-4-6-22(15-17)30-3/h4-15H,16H2,1-3H3

InChI Key

ILLZARMHAMQNKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.628

Distribution Coefficient, logD

5.628

Water Solubility, LogSw

-5.45

Polar Surface Area

46.144

Acid Dissociation Constant (pKa)

28.93

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8016-3696 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-3696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3696?
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What is the minimum amount of 8016-3696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3696
  • 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 8016-3696 available by request