C890-0965 Screening compound: 4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

C890-0965 Screening compound: 4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
C890-0965 Screening compound: 4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0965
4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

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

C890-0965

Molecular Formula

C26H36N6O2 (C26 H36 N6 O2)

Compound Name

4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

IUPAC name

4-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

SMILES

Cc1c(C=NN(c2ccccc2)C2=O)c2c(C)n1CCCC(NCCCN1CCN(C)CC1)=O

InChI

InChI=1S/C26H36N6O2/c1-20-23-19-28-32(22-9-5-4-6-10-22)26(34)25(23)21(2)31(20)14-7-11-24(33)27-12-8-13-30-17-15-29(3)16-18-30/h4-6,9-10,19H,7-8,11-18H2,1-3H3,(H,27,33)

InChI Key

RPOMFIFWFPBPED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.405

Distribution Coefficient, logD

-0.799

Water Solubility, LogSw

-2.01

Polar Surface Area

60.259

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C890-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0965?
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What is the minimum amount of C890-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0965
  • 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 C890-0965 available by request