C880-2754 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(furan-2-yl)methyl]acetamide

C880-2754 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(furan-2-yl)methyl]acetamide
C880-2754 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2754
2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(furan-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

C880-2754

Molecular Formula

C24H19ClN4O3 (C24 H19 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C1=O)N=Cc2c1n(Cc1cccc(Cl)c1)c1c2cccc1)NCc1ccco1

InChI

InChI=1S/C24H19ClN4O3/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/h1-11,13H,12,14-15H2,(H,26,30)

InChI Key

YHHYLRPRZUCIKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.89

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

4.256

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.47

Polar Surface Area

61.292

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C880-2754 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C880-2754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2754?
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What is the minimum amount of C880-2754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2754
  • 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 C880-2754 available by request