C884-0597 Screening compound: 5-{1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-0597 Screening compound: 5-{1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-0597 Screening compound: 5-{1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0597
5-{1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

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

C884-0597

Molecular Formula

C24H24ClN5O2 (C24 H24 ClN5 O2)

Compound Name

5-{1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-{1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-3-methyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CC(C(N(CC1)CCN1c1cccc(Cl)c1)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C24H24ClN5O2/c1-16(23(31)29-12-10-28(11-13-29)18-7-5-6-17(25)14-18)30-21-9-4-3-8-19(21)20-15-26-27(2)24(32)22(20)30/h3-9,14-16H,10-13H2,1-2H3/t16-/m0/s1

InChI Key

PEMQXQPMEDLODH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD26966661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.993

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.35

Polar Surface Area

49.898

Acid Dissociation Constant (pKa)

19.20

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C884-0597 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C884-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0597?
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What is the minimum amount of C884-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0597
  • 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 C884-0597 available by request