J079-0794 Screening compound: N-(3-chloro-2-methylphenyl)-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

J079-0794 Screening compound: N-(3-chloro-2-methylphenyl)-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide
J079-0794 Screening compound: N-(3-chloro-2-methylphenyl)-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-0794
N-(3-chloro-2-methylphenyl)-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

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

J079-0794

Molecular Formula

C25H28ClN3O3 (C25 H28 ClN3 O3)

Compound Name

N-(3-chloro-2-methylphenyl)-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

SMILES

CCc(cc1)cc(C(CN2CCN(CC(Nc3cccc(Cl)c3C)=O)CC2)=C2)c1OC2=O

InChI

InChI=1S/C25H28ClN3O3/c1-3-18-7-8-23-20(13-18)19(14-25(31)32-23)15-28-9-11-29(12-10-28)16-24(30)27-22-6-4-5-21(26)17(22)2/h4-8,13-14H,3,9-12,15-16H2,1-2H3,(H,27,30)

InChI Key

QZVHCEIBXSUZLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-4.52

Polar Surface Area

50.370

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

J079-0794 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J079-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-0794?
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What is the minimum amount of J079-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-0794
  • 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 J079-0794 available by request