C884-2446 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

C884-2446 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
C884-2446 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2446
N-(1-benzylpiperidin-4-yl)-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

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

C884-2446

Molecular Formula

C26H29N5O2 (C26 H29 N5 O2)

Compound Name

N-(1-benzylpiperidin-4-yl)-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-{4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamide

SMILES

O=C(CCCn1c(C(NN=C2)=O)c2c2c1cccc2)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C26H29N5O2/c32-24(28-20-12-15-30(16-13-20)18-19-7-2-1-3-8-19)11-6-14-31-23-10-5-4-9-21(23)22-17-27-29-26(33)25(22)31/h1-5,7-10,17,20H,6,11-16,18H2,(H,28,32)(H,29,33)

InChI Key

QUFNLZQPRXTWLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.903

Distribution Coefficient, logD

1.345

Water Solubility, LogSw

-3.23

Polar Surface Area

66.797

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C884-2446 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

PI3K-Targeted Library (17255 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C884-2446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2446?
Check Price and Availability of C884-2446, 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 C884-2446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2446
  • 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 C884-2446 available by request