C800-0084 Screening compound: 2-{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetic acid

C800-0084 Screening compound: 2-{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetic acid
C800-0084 Screening compound: 2-{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0084
2-{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetic acid

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

C800-0084

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

2-{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetic acid

IUPAC name

2-{4-oxo-5-[(246-trimethylphenyl)methyl]-3H4H5H-pyridazino[45-b]indol-3-yl}acetic acid

SMILES

Cc1cc(C)c(Cn2c(C(N(CC(O)=O)N=C3)=O)c3c3c2cccc3)c(C)c1

InChI

InChI=1S/C22H21N3O3/c1-13-8-14(2)18(15(3)9-13)11-24-19-7-5-4-6-16(19)17-10-23-25(12-20(26)27)22(28)21(17)24/h4-10H,11-12H2,1-3H3,(H,26,27)

InChI Key

KDXJYCFWPSBNJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

-0.751

Water Solubility, LogSw

-2.98

Polar Surface Area

57.727

Acid Dissociation Constant (pKa)

3.52

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C800-0084 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with C800-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0084?
Check Price and Availability of C800-0084, 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 C800-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0084
  • 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 C800-0084 available by request