C448-1030 Screening compound: 1-(4-ethylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C448-1030 Screening compound: 1-(4-ethylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C448-1030 Screening compound: 1-(4-ethylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1030
1-(4-ethylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-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

C448-1030

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

1-(4-ethylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

1-(4-ethylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-methyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CCN(CC1)CCN1C(C(c1c2n(C)c3c1cccc3)=NN(c(cc1)ccc1OC)C2=O)=O

InChI

InChI=1S/C25H27N5O3/c1-4-28-13-15-29(16-14-28)24(31)22-21-19-7-5-6-8-20(19)27(2)23(21)25(32)30(26-22)17-9-11-18(33-3)12-10-17/h5-12H,4,13-16H2,1-3H3

InChI Key

RMKSVOYPBVQKAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.515

Distribution Coefficient, logD

2.429

Water Solubility, LogSw

-2.48

Polar Surface Area

55.700

Acid Dissociation Constant (pKa)

29.15

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C448-1030 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C448-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1030?
Check Price and Availability of C448-1030, 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 C448-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1030
  • 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 C448-1030 available by request