C434-0043 Screening compound: N-(2-methoxybenzyl)-2-[4-oxochromeno[4,3-c]pyrazol-1(4H)-yl]acetamide

C434-0043 Screening compound: N-(2-methoxybenzyl)-2-[4-oxochromeno[4,3-c]pyrazol-1(4H)-yl]acetamide
C434-0043 Screening compound: N-(2-methoxybenzyl)-2-[4-oxochromeno[4,3-c]pyrazol-1(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C434-0043
N-(2-methoxybenzyl)-2-[4-oxochromeno[4,3-c]pyrazol-1(4H)-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

C434-0043

Molecular Formula

C20H17N3O4 (C20 H17 N3 O4)

Compound Name

N-(2-methoxybenzyl)-2-[4-oxochromeno[4,3-c]pyrazol-1(4H)-yl]acetamide

IUPAC name

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

SMILES

COc1c(CNC(Cn2ncc3c2-c(cccc2)c2OC3=O)=O)cccc1

InChI

InChI=1S/C20H17N3O4/c1-26-16-8-4-2-6-13(16)10-21-18(24)12-23-19-14-7-3-5-9-17(14)27-20(25)15(19)11-22-23/h2-9,11H,10,12H2,1H3,(H,21,24)

InChI Key

TZDIOBNOESXUMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.607

Distribution Coefficient, logD

2.607

Water Solubility, LogSw

-3.15

Polar Surface Area

66.560

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C434-0043 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C434-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C434-0043?
Check Price and Availability of C434-0043, 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 C434-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C434-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C434-0043
  • 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 C434-0043 available by request