C448-1488 Screening compound: 5-methyl-3-(4-methylphenyl)-1-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C448-1488 Screening compound: 5-methyl-3-(4-methylphenyl)-1-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C448-1488 Screening compound: 5-methyl-3-(4-methylphenyl)-1-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1488
5-methyl-3-(4-methylphenyl)-1-[4-(pyridin-2-yl)piperazine-1-carbonyl]-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

C448-1488

Molecular Formula

C28H26N6O2 (C28 H26 N6 O2)

Compound Name

5-methyl-3-(4-methylphenyl)-1-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-methyl-3-(4-methylphenyl)-1-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

Cc(cc1)ccc1N(C1=O)N=C(C(N(CC2)CCN2c2ncccc2)=O)c2c1n(C)c1c2cccc1

InChI

InChI=1S/C28H26N6O2/c1-19-10-12-20(13-11-19)34-28(36)26-24(21-7-3-4-8-22(21)31(26)2)25(30-34)27(35)33-17-15-32(16-18-33)23-9-5-6-14-29-23/h3-14H,15-18H2,1-2H3

InChI Key

DVBTYTDLPOEZCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.23

Polar Surface Area

56.391

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C448-1488 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C448-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1488?
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What is the minimum amount of C448-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1488
  • 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 C448-1488 available by request