C890-0822 Screening compound: 4-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

C890-0822 Screening compound: 4-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
C890-0822 Screening compound: 4-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)-N-[2-(trifluoromethyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0822
4-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)-N-[2-(trifluoromethyl)phenyl]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

C890-0822

Molecular Formula

C25H23F3N4O2 (C25 H23 F3 N4 O2)

Compound Name

4-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

IUPAC name

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

SMILES

Cc1c(C=NN(c2ccccc2)C2=O)c2c(C)n1CCCC(Nc1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C25H23F3N4O2/c1-16-19-15-29-32(18-9-4-3-5-10-18)24(34)23(19)17(2)31(16)14-8-13-22(33)30-21-12-7-6-11-20(21)25(26,27)28/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,30,33)

InChI Key

LLTQISQALXWEDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.268

Water Solubility, LogSw

-3.73

Polar Surface Area

50.938

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C890-0822 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 C890-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0822?
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What is the minimum amount of C890-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0822
  • 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 C890-0822 available by request