C890-0850 Screening compound: N-(5-chloro-2-methylphenyl)-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}butanamide

C890-0850 Screening compound: N-(5-chloro-2-methylphenyl)-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}butanamide
C890-0850 Screening compound: N-(5-chloro-2-methylphenyl)-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0850
N-(5-chloro-2-methylphenyl)-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}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

C890-0850

Molecular Formula

C25H25ClN4O2 (C25 H25 ClN4 O2)

Compound Name

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

IUPAC name

N-(5-chloro-2-methylphenyl)-4-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}butanamide

SMILES

Cc1c(C=NN(c2ccccc2)C2=O)c2c(C)n1CCCC(Nc1c(C)ccc(Cl)c1)=O

InChI

InChI=1S/C25H25ClN4O2/c1-16-11-12-19(26)14-22(16)28-23(31)10-7-13-29-17(2)21-15-27-30(20-8-5-4-6-9-20)25(32)24(21)18(29)3/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H,28,31)

InChI Key

YCYVXTAZOVNIDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.212

Distribution Coefficient, logD

3.206

Water Solubility, LogSw

-3.97

Polar Surface Area

50.938

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C890-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0850?
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What is the minimum amount of C890-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0850
  • 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 C890-0850 available by request