C891-0014 Screening compound: 6-benzyl-5,7-dimethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

C891-0014 Screening compound: 6-benzyl-5,7-dimethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
C891-0014 Screening compound: 6-benzyl-5,7-dimethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-0014
6-benzyl-5,7-dimethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-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

C891-0014

Molecular Formula

C27H29N5O2 (C27 H29 N5 O2)

Compound Name

6-benzyl-5,7-dimethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

IUPAC name

6-benzyl-57-dimethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H2H6H-pyrrolo[34-d]pyridazin-1-one

SMILES

Cc1c(C=NN(CC(N(CC2)CCN2c2ccccc2)=O)C2=O)c2c(C)n1Cc1ccccc1

InChI

InChI=1S/C27H29N5O2/c1-20-24-17-28-32(27(34)26(24)21(2)31(20)18-22-9-5-3-6-10-22)19-25(33)30-15-13-29(14-16-30)23-11-7-4-8-12-23/h3-12,17H,13-16,18-19H2,1-2H3

InChI Key

DGQLABCWXHOOQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-2.95

Polar Surface Area

49.580

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with C891-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-0014?
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What is the minimum amount of C891-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-0014
  • 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 C891-0014 available by request