C799-0478 Screening compound: N-[(2-bromophenyl)methyl]-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}acetamide

C799-0478 Screening compound: N-[(2-bromophenyl)methyl]-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}acetamide
C799-0478 Screening compound: N-[(2-bromophenyl)methyl]-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 C799-0478
N-[(2-bromophenyl)methyl]-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

C799-0478

Molecular Formula

C23H21BrN4O2 (C23 H21 BrN4 O2)

Compound Name

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

IUPAC name

N-[(2-bromophenyl)methyl]-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(NCc(cccc1)c1Br)=O

InChI

InChI=1S/C23H21BrN4O2/c1-15-19-13-26-28(18-9-4-3-5-10-18)23(30)22(19)16(2)27(15)14-21(29)25-12-17-8-6-7-11-20(17)24/h3-11,13H,12,14H2,1-2H3,(H,25,29)

InChI Key

IKGMIRZELARVHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.553

Water Solubility, LogSw

-3.73

Polar Surface Area

52.980

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with C799-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0478?
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What is the minimum amount of C799-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0478
  • 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 C799-0478 available by request