C890-0079 Screening compound: N-(2-bromophenyl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}acetamide

C890-0079 Screening compound: N-(2-bromophenyl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}acetamide
C890-0079 Screening compound: N-(2-bromophenyl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0079
N-(2-bromophenyl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}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

C890-0079

Molecular Formula

C22H19BrN4O2 (C22 H19 BrN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C=NN(c2ccccc2)C2=O)c2c(C)n1CC(Nc(cccc1)c1Br)=O

InChI

InChI=1S/C22H19BrN4O2/c1-14-17-12-24-27(16-8-4-3-5-9-16)22(29)21(17)15(2)26(14)13-20(28)25-19-11-7-6-10-18(19)23/h3-12H,13H2,1-2H3,(H,25,28)

InChI Key

YMMCTQWBDUNXJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.61

Polar Surface Area

50.960

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C890-0079 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C890-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0079?
Check Price and Availability of C890-0079, 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 C890-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0079
  • 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 C890-0079 available by request