C884-2598 Screening compound: 5-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-2598 Screening compound: 5-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-2598 Screening compound: 5-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2598
5-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-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

C884-2598

Molecular Formula

C26H29N5O2 (C26 H29 N5 O2)

Compound Name

5-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-3-methyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CN(C1=O)N=Cc2c1n(CCCC(N1CCN(Cc3ccccc3)CC1)=O)c1c2cccc1

InChI

InChI=1S/C26H29N5O2/c1-28-26(33)25-22(18-27-28)21-10-5-6-11-23(21)31(25)13-7-12-24(32)30-16-14-29(15-17-30)19-20-8-3-2-4-9-20/h2-6,8-11,18H,7,12-17,19H2,1H3

InChI Key

YOFVDMFYQKYCKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.071

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-2.34

Polar Surface Area

48.934

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C884-2598 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C884-2598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2598?
Check Price and Availability of C884-2598, 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 C884-2598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2598
  • 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 C884-2598 available by request