C618-0810 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

C618-0810 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
C618-0810 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0810
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-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

C618-0810

Molecular Formula

C26H29N5O3 (C26 H29 N5 O3)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{8-methyl-4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}acetamide

SMILES

Cc(cc1)cc(-c2c3cnn2CC(NCCN2CCN(Cc4ccccc4)CC2)=O)c1OC3=O

InChI

InChI=1S/C26H29N5O3/c1-19-7-8-23-21(15-19)25-22(26(33)34-23)16-28-31(25)18-24(32)27-9-10-29-11-13-30(14-12-29)17-20-5-3-2-4-6-20/h2-8,15-16H,9-14,17-18H2,1H3,(H,27,32)

InChI Key

UXFMUWJHDRSVAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.135

Distribution Coefficient, logD

1.992

Water Solubility, LogSw

-3.08

Polar Surface Area

66.294

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C618-0810 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 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 C618-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0810?
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What is the minimum amount of C618-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0810
  • 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 C618-0810 available by request