J079-1173 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

J079-1173 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide
J079-1173 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-1173
N-[2-chloro-5-(trifluoromethyl)phenyl]-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

J079-1173

Molecular Formula

C24H23ClF3N3O3 (C24 H23 ClF3 N3 O3)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

SMILES

Cc(cc1)cc(O2)c1C(CN1CCN(CC(Nc(cc(C(F)(F)F)cc3)c3Cl)=O)CC1)=CC2=O

InChI

InChI=1S/C24H23ClF3N3O3/c1-15-2-4-18-16(11-23(33)34-21(18)10-15)13-30-6-8-31(9-7-30)14-22(32)29-20-12-17(24(26,27)28)3-5-19(20)25/h2-5,10-12H,6-9,13-14H2,1H3,(H,29,32)

InChI Key

JHJWCPYUNRSIHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09780226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.91

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

4.421

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.58

Polar Surface Area

50.370

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J079-1173 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J079-1173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-1173?
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What is the minimum amount of J079-1173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-1173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-1173
  • 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 J079-1173 available by request