C891-1688 Screening compound: N-(2,5-difluorophenyl)-2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide

C891-1688 Screening compound: N-(2,5-difluorophenyl)-2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
C891-1688 Screening compound: N-(2,5-difluorophenyl)-2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1688
N-(2,5-difluorophenyl)-2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}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

C891-1688

Molecular Formula

C23H19F3N4O2 (C23 H19 F3 N4 O2)

Compound Name

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

IUPAC name

N-(25-difluorophenyl)-2-{6-[(4-fluorophenyl)methyl]-57-dimethyl-1-oxo-1H2H6H-pyrrolo[34-d]pyridazin-2-yl}acetamide

SMILES

Cc1c(C=NN(CC(Nc(cc(cc2)F)c2F)=O)C2=O)c2c(C)n1Cc(cc1)ccc1F

InChI

InChI=1S/C23H19F3N4O2/c1-13-18-10-27-30(12-21(31)28-20-9-17(25)7-8-19(20)26)23(32)22(18)14(2)29(13)11-15-3-5-16(24)6-4-15/h3-10H,11-12H2,1-2H3,(H,28,31)

InChI Key

PSXDWIBGAHVOEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.42

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

3.399

Distribution Coefficient, logD

3.394

Water Solubility, LogSw

-3.81

Polar Surface Area

52.379

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with C891-1688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-1688?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1688
  • 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 C891-1688 available by request