C618-0683 Screening compound: 1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl-1H,4H-chromeno[4,3-c]pyrazol-4-one

C618-0683 Screening compound: 1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl-1H,4H-chromeno[4,3-c]pyrazol-4-one
C618-0683 Screening compound: 1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]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 C618-0683
1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]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

C618-0683

Molecular Formula

C25H24N4O5 (C25 H24 N4 O5)

Compound Name

1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl-1H,4H-chromeno[4,3-c]pyrazol-4-one

IUPAC name

1-(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl-1H4H-chromeno[43-c]pyrazol-4-one

SMILES

Cc(cc1)cc(-c2c3cnn2CC(N2CCN(Cc(cc4)cc5c4OCO5)CC2)=O)c1OC3=O

InChI

InChI=1S/C25H24N4O5/c1-16-2-4-20-18(10-16)24-19(25(31)34-20)12-26-29(24)14-23(30)28-8-6-27(7-9-28)13-17-3-5-21-22(11-17)33-15-32-21/h2-5,10-12H,6-9,13-15H2,1H3

InChI Key

JVYSMHNVMCFDJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

2.178

Water Solubility, LogSw

-2.92

Polar Surface Area

71.507

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C618-0683 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C618-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0683?
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What is the minimum amount of C618-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0683
  • 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 C618-0683 available by request