C891-0004 Screening compound: 2-(6-benzyl-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl)-N,N-dipropylacetamide

C891-0004 Screening compound: 2-(6-benzyl-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl)-N,N-dipropylacetamide
C891-0004 Screening compound: 2-(6-benzyl-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl)-N,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-0004
2-(6-benzyl-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl)-N,N-dipropylacetamide

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

C891-0004

Molecular Formula

C23H30N4O2 (C23 H30 N4 O2)

Compound Name

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

IUPAC name

2-{6-benzyl-57-dimethyl-1-oxo-1H2H6H-pyrrolo[34-d]pyridazin-2-yl}-NN-dipropylacetamide

SMILES

CCCN(CCC)C(CN1N=Cc2c(C)n(Cc3ccccc3)c(C)c2C1=O)=O

InChI

InChI=1S/C23H30N4O2/c1-5-12-25(13-6-2)21(28)16-27-23(29)22-18(4)26(17(3)20(22)14-24-27)15-19-10-8-7-9-11-19/h7-11,14H,5-6,12-13,15-16H2,1-4H3

InChI Key

RSUFACTYOJOAHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.931

Distribution Coefficient, logD

2.931

Water Solubility, LogSw

-3.02

Polar Surface Area

46.111

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.48

References: we are preparing a list of scientific research reports with C891-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-0004?
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What is the minimum amount of C891-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-0004
  • 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 C891-0004 available by request