C891-2325 Screening compound: 2-{6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[(3-methoxyphenyl)methyl]acetamide

C891-2325 Screening compound: 2-{6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[(3-methoxyphenyl)methyl]acetamide
C891-2325 Screening compound: 2-{6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[(3-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-2325
2-{6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[(3-methoxyphenyl)methyl]acetamide

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

C891-2325

Molecular Formula

C25H25ClN4O3 (C25 H25 ClN4 O3)

Compound Name

2-{6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[(3-methoxyphenyl)methyl]acetamide

IUPAC name

2-{6-[(3-chlorophenyl)methyl]-57-dimethyl-1-oxo-1H2H6H-pyrrolo[34-d]pyridazin-2-yl}-N-[(3-methoxyphenyl)methyl]acetamide

SMILES

Cc1c(C=NN(CC(NCc2cc(OC)ccc2)=O)C2=O)c2c(C)n1Cc1cccc(Cl)c1

InChI

InChI=1S/C25H25ClN4O3/c1-16-22-13-28-30(15-23(31)27-12-18-6-5-9-21(11-18)33-3)25(32)24(22)17(2)29(16)14-19-7-4-8-20(26)10-19/h4-11,13H,12,14-15H2,1-3H3,(H,27,31)

InChI Key

CIGQCCAAPNVFOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.533

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-4.27

Polar Surface Area

61.943

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C891-2325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-2325?
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What is the minimum amount of C891-2325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-2325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-2325
  • 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 C891-2325 available by request