C434-0192 Screening compound: ethyl 3-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate

C434-0192 Screening compound: ethyl 3-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate
C434-0192 Screening compound: ethyl 3-(2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C434-0192
ethyl 3-(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

C434-0192

Molecular Formula

C21H17N3O5 (C21 H17 N3 O5)

Compound Name

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

IUPAC name

ethyl 3-(2-{4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}acetamido)benzoate

SMILES

CCOC(c1cccc(NC(Cn2ncc3c2-c(cccc2)c2OC3=O)=O)c1)=O

InChI

InChI=1S/C21H17N3O5/c1-2-28-20(26)13-6-5-7-14(10-13)23-18(25)12-24-19-15-8-3-4-9-17(15)29-21(27)16(19)11-22-24/h3-11H,2,12H2,1H3,(H,23,25)

InChI Key

ANBAWDDPXGPQPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.65

Polar Surface Area

78.361

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C434-0192 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Others
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C434-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C434-0192?
Check Price and Availability of C434-0192, 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 C434-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C434-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C434-0192
  • 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 C434-0192 available by request