C618-0696 Screening compound: N-(4-ethylphenyl)-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

C618-0696 Screening compound: N-(4-ethylphenyl)-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
C618-0696 Screening compound: N-(4-ethylphenyl)-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0696
N-(4-ethylphenyl)-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

C618-0696

Molecular Formula

C21H19N3O3 (C21 H19 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(Cn1ncc2c1-c(cc(C)cc1)c1OC2=O)=O

InChI

InChI=1S/C21H19N3O3/c1-3-14-5-7-15(8-6-14)23-19(25)12-24-20-16-10-13(2)4-9-18(16)27-21(26)17(20)11-22-24/h4-11H,3,12H2,1-2H3,(H,23,25)

InChI Key

MLULYRCZJKORBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.163

Distribution Coefficient, logD

4.163

Water Solubility, LogSw

-4.11

Polar Surface Area

57.608

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C618-0696 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C618-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0696?
Check Price and Availability of C618-0696, 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 C618-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0696
  • 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 C618-0696 available by request