C891-1573 Screening compound: N-butyl-2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-methylacetamide

C891-1573 Screening compound: N-butyl-2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-methylacetamide
C891-1573 Screening compound: N-butyl-2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1573
N-butyl-2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-methylacetamide

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

C891-1573

Molecular Formula

C22H27FN4O2 (C22 H27 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)C(CN1N=Cc2c(C)n(Cc(cc3)ccc3F)c(C)c2C1=O)=O

InChI

InChI=1S/C22H27FN4O2/c1-5-6-11-25(4)20(28)14-27-22(29)21-16(3)26(15(2)19(21)12-24-27)13-17-7-9-18(23)10-8-17/h7-10,12H,5-6,11,13-14H2,1-4H3

InChI Key

QGUZZNYONPIOLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

2.390

Water Solubility, LogSw

-2.52

Polar Surface Area

46.072

Acid Dissociation Constant (pKa)

17.66

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with C891-1573 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1573
  • 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 C891-1573 available by request