C448-1580 Screening compound: 1-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5-methyl-3-(4-methylphenyl)-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C448-1580 Screening compound: 1-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5-methyl-3-(4-methylphenyl)-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C448-1580 Screening compound: 1-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5-methyl-3-(4-methylphenyl)-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1580
1-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5-methyl-3-(4-methylphenyl)-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

C448-1580

Molecular Formula

C30H28ClN5O2 (C30 H28 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C1=O)N=C(C(N(CC2)CCN2c2c(C)ccc(Cl)c2)=O)c2c1n(C)c1c2cccc1

InChI

InChI=1S/C30H28ClN5O2/c1-19-8-12-22(13-9-19)36-30(38)28-26(23-6-4-5-7-24(23)33(28)3)27(32-36)29(37)35-16-14-34(15-17-35)25-18-21(31)11-10-20(25)2/h4-13,18H,14-17H2,1-3H3

InChI Key

YQIYXGBSCBQMFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.712

Water Solubility, LogSw

-6.08

Polar Surface Area

47.578

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

C448-1580 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C448-1580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1580?
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What is the minimum amount of C448-1580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1580
  • 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 C448-1580 available by request