C891-1822 Screening compound: 2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[2-(trifluoromethyl)phenyl]acetamide

C891-1822 Screening compound: 2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
C891-1822 Screening compound: 2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1822
2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[2-(trifluoromethyl)phenyl]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

C891-1822

Molecular Formula

C24H20F4N4O2 (C24 H20 F4 N4 O2)

Compound Name

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

IUPAC name

2-{6-[(2-fluorophenyl)methyl]-57-dimethyl-1-oxo-1H2H6H-pyrrolo[34-d]pyridazin-2-yl}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

Cc1c(C=NN(CC(Nc2c(C(F)(F)F)cccc2)=O)C2=O)c2c(C)n1Cc(cccc1)c1F

InChI

InChI=1S/C24H20F4N4O2/c1-14-17-11-29-32(13-21(33)30-20-10-6-4-8-18(20)24(26,27)28)23(34)22(17)15(2)31(14)12-16-7-3-5-9-19(16)25/h3-11H,12-13H2,1-2H3,(H,30,33)

InChI Key

OMLWQYBFVUGJDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.44

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

3.996

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.36

Polar Surface Area

52.379

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C891-1822 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C891-1822 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C891-1822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1822
  • 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 C891-1822 available by request