C890-0370 Screening compound: ethyl 3-(2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}propanamido)benzoate

C890-0370 Screening compound: ethyl 3-(2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}propanamido)benzoate
C890-0370 Screening compound: ethyl 3-(2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0370
ethyl 3-(2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}propanamido)benzoate

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

C890-0370

Molecular Formula

C26H26N4O4 (C26 H26 N4 O4)

Compound Name

ethyl 3-(2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}propanamido)benzoate

IUPAC name

ethyl 3-(2-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}propanamido)benzoate

SMILES

CCOC(c1cccc(NC(C(C)n(c(C)c2C=NN3c4ccccc4)c(C)c2C3=O)=O)c1)=O

InChI

InChI=1S/C26H26N4O4/c1-5-34-26(33)19-10-9-11-20(14-19)28-24(31)18(4)29-16(2)22-15-27-30(21-12-7-6-8-13-21)25(32)23(22)17(29)3/h6-15,18H,5H2,1-4H3,(H,28,31)/t18-/m0/s1

InChI Key

PVLOVHLEVWRLRN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14806370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.713

Distribution Coefficient, logD

3.713

Water Solubility, LogSw

-4.12

Polar Surface Area

73.320

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C890-0370 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C890-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0370?
Check Price and Availability of C890-0370, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C890-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0370
  • 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 C890-0370 available by request