C890-0966 Screening compound: 4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(piperidin-1-yl)propyl]butanamide

C890-0966 Screening compound: 4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(piperidin-1-yl)propyl]butanamide
C890-0966 Screening compound: 4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(piperidin-1-yl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0966
4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(piperidin-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

C890-0966

Molecular Formula

C26H35N5O2 (C26 H35 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C=NN(c2ccccc2)C2=O)c2c(C)n1CCCC(NCCCN1CCCCC1)=O

InChI

InChI=1S/C26H35N5O2/c1-20-23-19-28-31(22-11-5-3-6-12-22)26(33)25(23)21(2)30(20)18-9-13-24(32)27-14-10-17-29-15-7-4-8-16-29/h3,5-6,11-12,19H,4,7-10,13-18H2,1-2H3,(H,27,32)

InChI Key

CNLNFGBAUYQTQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.599

Distribution Coefficient, logD

-1.055

Water Solubility, LogSw

-2.28

Polar Surface Area

56.782

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C890-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0966?
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What is the minimum amount of C890-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0966
  • 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 C890-0966 available by request