C890-0168 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(3-ethoxypropyl)acetamide

C890-0168 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(3-ethoxypropyl)acetamide
C890-0168 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(3-ethoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0168
2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(3-ethoxypropyl)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

C890-0168

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

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

IUPAC name

2-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}-N-(3-ethoxypropyl)acetamide

SMILES

CCOCCCNC(Cn(c(C)c1C=NN2c3ccccc3)c(C)c1C2=O)=O

InChI

InChI=1S/C21H26N4O3/c1-4-28-12-8-11-22-19(26)14-24-15(2)18-13-23-25(17-9-6-5-7-10-17)21(27)20(18)16(24)3/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3,(H,22,26)

InChI Key

DXLIHXFVKFCNCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.518

Distribution Coefficient, logD

1.518

Water Solubility, LogSw

-2.47

Polar Surface Area

61.070

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C890-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0168?
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What is the minimum amount of C890-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0168
  • 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 C890-0168 available by request