J079-1013 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

J079-1013 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide
J079-1013 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-1013
N-(3-chloro-4-fluorophenyl)-2-{4-[(7-methyl-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

J079-1013

Molecular Formula

C23H23ClFN3O3 (C23 H23 ClFN3 O3)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

SMILES

Cc(cc1)cc(O2)c1C(CN1CCN(CC(Nc(cc3)cc(Cl)c3F)=O)CC1)=CC2=O

InChI

InChI=1S/C23H23ClFN3O3/c1-15-2-4-18-16(11-23(30)31-21(18)10-15)13-27-6-8-28(9-7-27)14-22(29)26-17-3-5-20(25)19(24)12-17/h2-5,10-12H,6-9,13-14H2,1H3,(H,26,29)

InChI Key

YCRGDLJDOVYBAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-4.37

Polar Surface Area

51.068

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

J079-1013 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 J079-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-1013?
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What is the minimum amount of J079-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-1013
  • 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 J079-1013 available by request