J079-0508 Screening compound: 4-({4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-chromen-2-one

J079-0508 Screening compound: 4-({4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-chromen-2-one
J079-0508 Screening compound: 4-({4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-0508
4-({4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-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

J079-0508

Molecular Formula

C25H30N2O3 (C25 H30 N2 O3)

Compound Name

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

IUPAC name

4-({4-[(25-dimethylphenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-chromen-2-one

SMILES

CCOc(cc1)cc(C(CN2CCN(Cc3c(C)ccc(C)c3)CC2)=C2)c1OC2=O

InChI

InChI=1S/C25H30N2O3/c1-4-29-22-7-8-24-23(15-22)21(14-25(28)30-24)17-27-11-9-26(10-12-27)16-20-13-18(2)5-6-19(20)3/h5-8,13-15H,4,9-12,16-17H2,1-3H3

InChI Key

MXOJEAKASRKBMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.52

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

4.225

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-4.16

Polar Surface Area

35.042

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with J079-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-0508?
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What is the minimum amount of J079-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-0508
  • 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 J079-0508 available by request