C880-0058 Screening compound: ethyl 4-(2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)piperidine-1-carboxylate

C880-0058 Screening compound: ethyl 4-(2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)piperidine-1-carboxylate
C880-0058 Screening compound: ethyl 4-(2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0058
ethyl 4-(2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)piperidine-1-carboxylate

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

C880-0058

Molecular Formula

C21H25N5O4 (C21 H25 N5 O4)

Compound Name

ethyl 4-(2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)piperidine-1-carboxylate

IUPAC name

ethyl 4-(2-{5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetamido)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(CN(C1=O)N=Cc2c1n(C)c1c2cccc1)=O)=O

InChI

InChI=1S/C21H25N5O4/c1-3-30-21(29)25-10-8-14(9-11-25)23-18(27)13-26-20(28)19-16(12-22-26)15-6-4-5-7-17(15)24(19)2/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,23,27)

InChI Key

YCISJGSGJGOUNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.250

Distribution Coefficient, logD

1.250

Water Solubility, LogSw

-2.46

Polar Surface Area

77.130

Acid Dissociation Constant (pKa)

16.73

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C880-0058 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C880-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0058?
Check Price and Availability of C880-0058, 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 C880-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0058
  • 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 C880-0058 available by request