C884-0530 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide

C884-0530 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide
C884-0530 Screening compound: N-[3-(4-benzylpiperazin-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 C884-0530
N-[3-(4-benzylpiperazin-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

C884-0530

Molecular Formula

C27H32N6O2 (C27 H32 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C1=O)N=Cc2c1n(CC(NCCCN1CCN(Cc3ccccc3)CC1)=O)c1c2cccc1

InChI

InChI=1S/C27H32N6O2/c1-30-27(35)26-23(18-29-30)22-10-5-6-11-24(22)33(26)20-25(34)28-12-7-13-31-14-16-32(17-15-31)19-21-8-3-2-4-9-21/h2-6,8-11,18H,7,12-17,19-20H2,1H3,(H,28,34)

InChI Key

JZHMCVHXWIOBNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.723

Distribution Coefficient, logD

0.904

Water Solubility, LogSw

-2.21

Polar Surface Area

60.858

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C884-0530 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C884-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0530?
Check Price and Availability of C884-0530, 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 C884-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0530
  • 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 C884-0530 available by request