C880-0787 Screening compound: 2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide

C880-0787 Screening compound: 2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
C880-0787 Screening compound: 2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0787
2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(2,5-dimethoxyphenyl)ethyl]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

C880-0787

Molecular Formula

C29H28N4O4 (C29 H28 N4 O4)

Compound Name

2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-{5-benzyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[2-(25-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(cc1)cc(CCNC(CN(C2=O)N=Cc3c2n(Cc2ccccc2)c2c3cccc2)=O)c1OC

InChI

InChI=1S/C29H28N4O4/c1-36-22-12-13-26(37-2)21(16-22)14-15-30-27(34)19-33-29(35)28-24(17-31-33)23-10-6-7-11-25(23)32(28)18-20-8-4-3-5-9-20/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,30,34)

InChI Key

IRVFWKPBYWAFDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-4.30

Polar Surface Area

68.559

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

C880-0787 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C880-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0787?
Check Price and Availability of C880-0787, 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 C880-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0787
  • 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 C880-0787 available by request