C798-0664 Screening compound: ethyl 2-[(4-chlorophenyl)methyl]-8-methyl-2H,4H,5H-furo[2,3-g]indazole-7-carboxylate

C798-0664 Screening compound: ethyl 2-[(4-chlorophenyl)methyl]-8-methyl-2H,4H,5H-furo[2,3-g]indazole-7-carboxylate
C798-0664 Screening compound: ethyl 2-[(4-chlorophenyl)methyl]-8-methyl-2H,4H,5H-furo[2,3-g]indazole-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0664
ethyl 2-[(4-chlorophenyl)methyl]-8-methyl-2H,4H,5H-furo[2,3-g]indazole-7-carboxylate

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

C798-0664

Molecular Formula

C20H19ClN2O3 (C20 H19 ClN2 O3)

Compound Name

ethyl 2-[(4-chlorophenyl)methyl]-8-methyl-2H,4H,5H-furo[2,3-g]indazole-7-carboxylate

IUPAC name

ethyl 2-[(4-chlorophenyl)methyl]-8-methyl-2H4H5H-furo[23-g]indazole-7-carboxylate

SMILES

CCOC(c1c(C)c(-c2nn(Cc(cc3)ccc3Cl)cc2CC2)c2o1)=O

InChI

InChI=1S/C20H19ClN2O3/c1-3-25-20(24)19-12(2)17-16(26-19)9-6-14-11-23(22-18(14)17)10-13-4-7-15(21)8-5-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3

InChI Key

CSUHPUBCRSEHTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.398

Distribution Coefficient, logD

4.398

Water Solubility, LogSw

-4.83

Polar Surface Area

44.590

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C798-0664 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C798-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0664?
Check Price and Availability of C798-0664, 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 C798-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0664
  • 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 C798-0664 available by request