C434-0104 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

C434-0104 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
C434-0104 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C434-0104
N-{3-[benzyl(ethyl)amino]propyl}-2-{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

C434-0104

Molecular Formula

C24H26N4O3 (C24 H26 N4 O3)

Compound Name

N-{3-[benzyl(ethyl)amino]propyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

IUPAC name

N-{3-[benzyl(ethyl)amino]propyl}-2-{4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}acetamide

SMILES

CCN(CCCNC(Cn1ncc2c1-c(cccc1)c1OC2=O)=O)Cc1ccccc1

InChI

InChI=1S/C24H26N4O3/c1-2-27(16-18-9-4-3-5-10-18)14-8-13-25-22(29)17-28-23-19-11-6-7-12-21(19)31-24(30)20(23)15-26-28/h3-7,9-12,15H,2,8,13-14,16-17H2,1H3,(H,25,29)

InChI Key

JSKOQABEOJJIFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.574

Distribution Coefficient, logD

0.927

Water Solubility, LogSw

-3.04

Polar Surface Area

62.458

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C434-0104 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C434-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C434-0104?
Check Price and Availability of C434-0104, 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 C434-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C434-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C434-0104
  • 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 C434-0104 available by request