C891-1567 Screening compound: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

C891-1567 Screening compound: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
C891-1567 Screening compound: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1567
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

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

C891-1567

Molecular Formula

C28H30FN5O2 (C28 H30 FN5 O2)

Compound Name

2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

IUPAC name

2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[(4-fluorophenyl)methyl]-57-dimethyl-1H2H6H-pyrrolo[34-d]pyridazin-1-one

SMILES

Cc1c(C=NN(CC(N2CCN(Cc3ccccc3)CC2)=O)C2=O)c2c(C)n1Cc(cc1)ccc1F

InChI

InChI=1S/C28H30FN5O2/c1-20-25-16-30-34(28(36)27(25)21(2)33(20)18-23-8-10-24(29)11-9-23)19-26(35)32-14-12-31(13-15-32)17-22-6-4-3-5-7-22/h3-11,16H,12-15,17-19H2,1-2H3

InChI Key

MRVUBTANMSLGCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.497

Distribution Coefficient, logD

2.482

Water Solubility, LogSw

-2.30

Polar Surface Area

49.860

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with C891-1567 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 C891-1567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1567
  • 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 C891-1567 available by request