C880-1492 Screening compound: 2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(4-phenylbutan-2-yl)acetamide

C880-1492 Screening compound: 2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(4-phenylbutan-2-yl)acetamide
C880-1492 Screening compound: 2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(4-phenylbutan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-1492
2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(4-phenylbutan-2-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

C880-1492

Molecular Formula

C31H32N4O2 (C31 H32 N4 O2)

Compound Name

2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(4-phenylbutan-2-yl)acetamide

IUPAC name

2-{5-[(25-dimethylphenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-(4-phenylbutan-2-yl)acetamide

SMILES

CC(CCc1ccccc1)NC(CN(C1=O)N=Cc2c1n(Cc1c(C)ccc(C)c1)c1c2cccc1)=O

InChI

InChI=1S/C31H32N4O2/c1-21-13-14-22(2)25(17-21)19-34-28-12-8-7-11-26(28)27-18-32-35(31(37)30(27)34)20-29(36)33-23(3)15-16-24-9-5-4-6-10-24/h4-14,17-18,23H,15-16,19-20H2,1-3H3,(H,33,36)/t23-/m0/s1

InChI Key

CTSBYVAJHTWFED-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14804041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.984

Distribution Coefficient, logD

5.984

Water Solubility, LogSw

-5.69

Polar Surface Area

52.984

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

C880-1492 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C880-1492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-1492?
Check Price and Availability of C880-1492, 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 C880-1492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-1492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-1492
  • 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 C880-1492 available by request