C890-0719 Screening compound: 2-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)-N-(2,3,5,6-tetrafluorophenyl)butanamide

C890-0719 Screening compound: 2-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)-N-(2,3,5,6-tetrafluorophenyl)butanamide
C890-0719 Screening compound: 2-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)-N-(2,3,5,6-tetrafluorophenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0719
2-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)-N-(2,3,5,6-tetrafluorophenyl)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

C890-0719

Molecular Formula

C24H20F4N4O2 (C24 H20 F4 N4 O2)

Compound Name

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

IUPAC name

2-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}-N-(2356-tetrafluorophenyl)butanamide

SMILES

CCC(C(Nc(c(F)c(cc1F)F)c1F)=O)n(c(C)c1C=NN2c3ccccc3)c(C)c1C2=O

InChI

InChI=1S/C24H20F4N4O2/c1-4-18(23(33)30-22-20(27)16(25)10-17(26)21(22)28)31-12(2)15-11-29-32(14-8-6-5-7-9-14)24(34)19(15)13(31)3/h5-11,18H,4H2,1-3H3,(H,30,33)/t18-/m0/s1

InChI Key

MRBIFKCDTQOAQK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14806467

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

0.879

Water Solubility, LogSw

-4.18

Polar Surface Area

50.756

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.83

References: we are preparing a list of scientific research reports with C890-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C890-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0719
  • 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 C890-0719 available by request