C880-1402 Screening compound: 2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(pyridin-2-yl)methyl]acetamide

C880-1402 Screening compound: 2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(pyridin-2-yl)methyl]acetamide
C880-1402 Screening compound: 2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(pyridin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-1402
2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(pyridin-2-yl)methyl]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

C880-1402

Molecular Formula

C27H25N5O2 (C27 H25 N5 O2)

Compound Name

2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(pyridin-2-yl)methyl]acetamide

IUPAC name

2-{5-[(25-dimethylphenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[(pyridin-2-yl)methyl]acetamide

SMILES

Cc1cc(Cn2c(C(N(CC(NCc3ncccc3)=O)N=C3)=O)c3c3c2cccc3)c(C)cc1

InChI

InChI=1S/C27H25N5O2/c1-18-10-11-19(2)20(13-18)16-31-24-9-4-3-8-22(24)23-15-30-32(27(34)26(23)31)17-25(33)29-14-21-7-5-6-12-28-21/h3-13,15H,14,16-17H2,1-2H3,(H,29,33)

InChI Key

WONATXNENHCCIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.123

Distribution Coefficient, logD

4.123

Water Solubility, LogSw

-4.21

Polar Surface Area

63.086

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C880-1402 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

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

CNS Targets (44014 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
  • Nervous system

References: we are preparing a list of scientific research reports with C880-1402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-1402?
Check Price and Availability of C880-1402, 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 C880-1402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-1402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-1402
  • 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 C880-1402 available by request