C434-0052 Screening compound: methyl 2-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate

C434-0052 Screening compound: methyl 2-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate
C434-0052 Screening compound: methyl 2-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C434-0052
methyl 2-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate

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

C434-0052

Molecular Formula

C20H15N3O5 (C20 H15 N3 O5)

Compound Name

methyl 2-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(Cn1ncc2c1-c(cccc1)c1OC2=O)=O)=O

InChI

InChI=1S/C20H15N3O5/c1-27-19(25)12-6-2-4-8-15(12)22-17(24)11-23-18-13-7-3-5-9-16(13)28-20(26)14(18)10-21-23/h2-10H,11H2,1H3,(H,22,24)

InChI Key

JEYCQKSWNHVUNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.519

Water Solubility, LogSw

-2.97

Polar Surface Area

78.084

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C434-0052 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C434-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C434-0052?
Check Price and Availability of C434-0052, 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 C434-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C434-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C434-0052
  • 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 C434-0052 available by request