C448-0977 Screening compound: 3-(4-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C448-0977 Screening compound: 3-(4-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C448-0977 Screening compound: 3-(4-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-0977
3-(4-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-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

C448-0977

Molecular Formula

C30H29N5O4 (C30 H29 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cn(c1c2cccc1)c1c2C(C(N(CC2)CCN2c(cccc2)c2OC)=O)=NN(c(cc2)ccc2OC)C1=O

InChI

InChI=1S/C30H29N5O4/c1-32-23-9-5-4-8-22(23)26-27(31-35(30(37)28(26)32)20-12-14-21(38-2)15-13-20)29(36)34-18-16-33(17-19-34)24-10-6-7-11-25(24)39-3/h4-15H,16-19H2,1-3H3

InChI Key

DQLXEKODEBPJAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.34

Polar Surface Area

62.753

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

C448-0977 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C448-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-0977?
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What is the minimum amount of C448-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-0977
  • 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 C448-0977 available by request