C880-2776 Screening compound: 2-[5-(3-CHLOROBENZYL)-4-OXO-4,5-DIHYDRO-3H-PYRIDAZINO[4,5-B]INDOL-3-YL]-N-(TETRAHYDRO-2-FURANYLMETHYL)ACETAMIDE

C880-2776 Screening compound: 2-[5-(3-CHLOROBENZYL)-4-OXO-4,5-DIHYDRO-3H-PYRIDAZINO[4,5-B]INDOL-3-YL]-N-(TETRAHYDRO-2-FURANYLMETHYL)ACETAMIDE
C880-2776 Screening compound: 2-[5-(3-CHLOROBENZYL)-4-OXO-4,5-DIHYDRO-3H-PYRIDAZINO[4,5-B]INDOL-3-YL]-N-(TETRAHYDRO-2-FURANYLMETHYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2776
2-[5-(3-CHLOROBENZYL)-4-OXO-4,5-DIHYDRO-3H-PYRIDAZINO[4,5-B]INDOL-3-YL]-N-(TETRAHYDRO-2-FURANYLMETHYL)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

C880-2776

Molecular Formula

C24H23ClN4O3 (C24 H23 ClN4 O3)

Compound Name

2-[5-(3-CHLOROBENZYL)-4-OXO-4,5-DIHYDRO-3H-PYRIDAZINO[4,5-B]INDOL-3-YL]-N-(TETRAHYDRO-2-FURANYLMETHYL)ACETAMIDE

IUPAC name

n/a

SMILES

O=C(CN(C1=O)N=Cc2c1n(Cc1cccc(Cl)c1)c1c2cccc1)NCC1OCCC1

InChI

InChI=1S/C24H23ClN4O3/c25-17-6-3-5-16(11-17)14-28-21-9-2-1-8-19(21)20-13-27-29(24(31)23(20)28)15-22(30)26-12-18-7-4-10-32-18/h1-3,5-6,8-9,11,13,18H,4,7,10,12,14-15H2,(H,26,30)/t18-/m1/s1

InChI Key

KZPZUTHYPMRTQM-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14804319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.92

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

2.961

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.50

Polar Surface Area

62.197

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C880-2776 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)

Antiviral Library (67538 compounds)

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

DGK Inhibitors Library (10558 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with C880-2776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2776?
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What is the minimum amount of C880-2776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2776
  • 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 C880-2776 available by request