C884-0508 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide

C884-0508 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide
C884-0508 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0508
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}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

C884-0508

Molecular Formula

C26H29ClN6O2 (C26 H29 ClN6 O2)

Compound Name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide

IUPAC name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}acetamide

SMILES

CN(C1=O)N=Cc2c1n(CC(NCCCN(CC1)CCN1c1cccc(Cl)c1)=O)c1c2cccc1

InChI

InChI=1S/C26H29ClN6O2/c1-30-26(35)25-22(17-29-30)21-8-2-3-9-23(21)33(25)18-24(34)28-10-5-11-31-12-14-32(15-13-31)20-7-4-6-19(27)16-20/h2-4,6-9,16-17H,5,10-15,18H2,1H3,(H,28,34)

InChI Key

PIMUNUUGKFJHOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-3.52

Polar Surface Area

60.578

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C884-0508 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C884-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0508?
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What is the minimum amount of C884-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0508
  • 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 C884-0508 available by request