J079-0592 Screening compound: 6-ethoxy-4-[(4-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-chromen-2-one

J079-0592 Screening compound: 6-ethoxy-4-[(4-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-chromen-2-one
J079-0592 Screening compound: 6-ethoxy-4-[(4-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-0592
6-ethoxy-4-[(4-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-chromen-2-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

J079-0592

Molecular Formula

C28H31N3O5 (C28 H31 N3 O5)

Compound Name

6-ethoxy-4-[(4-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-chromen-2-one

IUPAC name

6-ethoxy-4-[(4-{[2-(4-methoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-chromen-2-one

SMILES

CCOc(cc1)cc(C(CN2CCN(Cc3c(C)oc(-c(cc4)ccc4OC)n3)CC2)=C2)c1OC2=O

InChI

InChI=1S/C28H31N3O5/c1-4-34-23-9-10-26-24(16-23)21(15-27(32)36-26)17-30-11-13-31(14-12-30)18-25-19(2)35-28(29-25)20-5-7-22(33-3)8-6-20/h5-10,15-16H,4,11-14,17-18H2,1-3H3

InChI Key

HZXIGRQAFDAIDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.66

Polar Surface Area

60.708

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with J079-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-0592?
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What is the minimum amount of J079-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-0592
  • 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 J079-0592 available by request