C891-1128 Screening compound: 5,7-dimethyl-6-[(4-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

C891-1128 Screening compound: 5,7-dimethyl-6-[(4-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
C891-1128 Screening compound: 5,7-dimethyl-6-[(4-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1128
5,7-dimethyl-6-[(4-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-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

C891-1128

Molecular Formula

C23H29N5O2 (C23 H29 N5 O2)

Compound Name

5,7-dimethyl-6-[(4-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

IUPAC name

57-dimethyl-6-[(4-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H2H6H-pyrrolo[34-d]pyridazin-1-one

SMILES

Cc1c(C=NN(CC(N2CCN(C)CC2)=O)C2=O)c2c(C)n1Cc1ccc(C)cc1

InChI

InChI=1S/C23H29N5O2/c1-16-5-7-19(8-6-16)14-27-17(2)20-13-24-28(23(30)22(20)18(27)3)15-21(29)26-11-9-25(4)10-12-26/h5-8,13H,9-12,14-15H2,1-4H3

InChI Key

IAVMQKKEPMVJDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.394

Distribution Coefficient, logD

1.263

Water Solubility, LogSw

-2.08

Polar Surface Area

49.797

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with C891-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1128
ChemDiv sends parcels with Express services (UPS, WC).
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Delivery formats for C891-1128
  • 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 C891-1128 available by request