C880-0914 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{5-[(2-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

C880-0914 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{5-[(2-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
C880-0914 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{5-[(2-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0914
N-[(2-methoxyphenyl)methyl]-2-{5-[(2-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-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

C880-0914

Molecular Formula

C28H26N4O3 (C28 H26 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cn2c(C(N(CC(NCc(cccc3)c3OC)=O)N=C3)=O)c3c3c2cccc3)cccc1

InChI

InChI=1S/C28H26N4O3/c1-19-9-3-4-11-21(19)17-31-24-13-7-6-12-22(24)23-16-30-32(28(34)27(23)31)18-26(33)29-15-20-10-5-8-14-25(20)35-2/h3-14,16H,15,17-18H2,1-2H3,(H,29,33)

InChI Key

MPGWQYLOHQKYAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.827

Water Solubility, LogSw

-4.83

Polar Surface Area

61.173

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C880-0914 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C880-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0914?
Check Price and Availability of C880-0914, 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 C880-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0914
  • 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 C880-0914 available by request