J079-1052 Screening compound: 4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-chromen-2-one

J079-1052 Screening compound: 4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-chromen-2-one
J079-1052 Screening compound: 4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-1052
4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}methyl)-7-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

J079-1052

Molecular Formula

C22H22ClFN2O2 (C22 H22 ClFN2 O2)

Compound Name

4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-chromen-2-one

IUPAC name

4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-chromen-2-one

SMILES

Cc(cc1)cc(O2)c1C(CN1CCN(Cc(ccc(F)c3)c3Cl)CC1)=CC2=O

InChI

InChI=1S/C22H22ClFN2O2/c1-15-2-5-19-17(11-22(27)28-21(19)10-15)14-26-8-6-25(7-9-26)13-16-3-4-18(24)12-20(16)23/h2-5,10-12H,6-9,13-14H2,1H3

InChI Key

OFSGMVBATZQJCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09780299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-4.42

Polar Surface Area

27.919

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

J079-1052 in Drug Discovery

Included in Screening Libraries

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

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 J079-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-1052?
Check Price and Availability of J079-1052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J079-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-1052
  • 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 J079-1052 available by request