C618-0681 Screening compound: 1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-1H,4H-chromeno[4,3-c]pyrazol-4-one

C618-0681 Screening compound: 1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-1H,4H-chromeno[4,3-c]pyrazol-4-one
C618-0681 Screening compound: 1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-1H,4H-chromeno[4,3-c]pyrazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0681
1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-1H,4H-chromeno[4,3-c]pyrazol-4-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

C618-0681

Molecular Formula

C23H21FN4O3 (C23 H21 FN4 O3)

Compound Name

1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-1H,4H-chromeno[4,3-c]pyrazol-4-one

IUPAC name

1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-1H4H-chromeno[43-c]pyrazol-4-one

SMILES

Cc(cc1)cc(-c2c3cnn2CC(N(CC2)CCN2c(cc2)ccc2F)=O)c1OC3=O

InChI

InChI=1S/C23H21FN4O3/c1-15-2-7-20-18(12-15)22-19(23(30)31-20)13-25-28(22)14-21(29)27-10-8-26(9-11-27)17-5-3-16(24)4-6-17/h2-7,12-13H,8-11,14H2,1H3

InChI Key

BPBOZWFHFDLMHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.968

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.13

Polar Surface Area

54.111

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C618-0681 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C618-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0681?
Check Price and Availability of C618-0681, 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 C618-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0681
  • 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 C618-0681 available by request