J079-0948 Screening compound: 6-ethyl-4-[(4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)methyl]-2H-chromen-2-one

J079-0948 Screening compound: 6-ethyl-4-[(4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)methyl]-2H-chromen-2-one
J079-0948 Screening compound: 6-ethyl-4-[(4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-0948
6-ethyl-4-[(4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)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

J079-0948

Molecular Formula

C28H33FN4O3 (C28 H33 FN4 O3)

Compound Name

6-ethyl-4-[(4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)methyl]-2H-chromen-2-one

IUPAC name

6-ethyl-4-[(4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)methyl]-2H-chromen-2-one

SMILES

CCc(cc1)cc(C(CN2CCN(CC(N(CC3)CCN3c(cc3)ccc3F)=O)CC2)=C2)c1OC2=O

InChI

InChI=1S/C28H33FN4O3/c1-2-21-3-8-26-25(17-21)22(18-28(35)36-26)19-30-9-11-31(12-10-30)20-27(34)33-15-13-32(14-16-33)24-6-4-23(29)5-7-24/h3-8,17-18H,2,9-16,19-20H2,1H3

InChI Key

UXSFWLYIVJHPOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.810

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-3.26

Polar Surface Area

47.572

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

J079-0948 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J079-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-0948?
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What is the minimum amount of J079-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-0948
  • 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 J079-0948 available by request