C884-2801 Screening compound: N-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

C884-2801 Screening compound: N-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
C884-2801 Screening compound: N-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2801
N-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-4-{3-methyl-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

C884-2801

Molecular Formula

C28H40N6O2 (C28 H40 N6 O2)

Compound Name

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

IUPAC name

N-(3-{[14'-bipiperidin]-1'-yl}propyl)-4-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamide

SMILES

CN(C1=O)N=Cc2c1n(CCCC(NCCCN(CC1)CCC1N1CCCCC1)=O)c1c2cccc1

InChI

InChI=1S/C28H40N6O2/c1-31-28(36)27-24(21-30-31)23-9-3-4-10-25(23)34(27)18-7-11-26(35)29-14-8-15-32-19-12-22(13-20-32)33-16-5-2-6-17-33/h3-4,9-10,21-22H,2,5-8,11-20H2,1H3,(H,29,35)

InChI Key

HJZAJAJXPRQONY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.602

Distribution Coefficient, logD

-0.661

Water Solubility, LogSw

-2.07

Polar Surface Area

60.390

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.70

C884-2801 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C884-2801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2801?
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What is the minimum amount of C884-2801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2801
  • 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 C884-2801 available by request