C880-0658 Screening compound: ethyl 3-(2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate

C880-0658 Screening compound: ethyl 3-(2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate
C880-0658 Screening compound: ethyl 3-(2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0658
ethyl 3-(2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-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

C880-0658

Molecular Formula

C28H24N4O4 (C28 H24 N4 O4)

Compound Name

ethyl 3-(2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate

IUPAC name

ethyl 3-(2-{5-benzyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetamido)benzoate

SMILES

CCOC(c1cccc(NC(CN(C2=O)N=Cc3c2n(Cc2ccccc2)c2c3cccc2)=O)c1)=O

InChI

InChI=1S/C28H24N4O4/c1-2-36-28(35)20-11-8-12-21(15-20)30-25(33)18-32-27(34)26-23(16-29-32)22-13-6-7-14-24(22)31(26)17-19-9-4-3-5-10-19/h3-16H,2,17-18H2,1H3,(H,30,33)

InChI Key

KXSYHLPXBPZISS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.054

Distribution Coefficient, logD

5.054

Water Solubility, LogSw

-4.91

Polar Surface Area

72.975

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C880-0658 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C880-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0658?
Check Price and Availability of C880-0658, 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 C880-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0658
  • 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 C880-0658 available by request