5471-0019 Screening compound: N-(2-methoxyphenyl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

5471-0019 Screening compound: N-(2-methoxyphenyl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
5471-0019 Screening compound: N-(2-methoxyphenyl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5471-0019
N-(2-methoxyphenyl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}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

5471-0019

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

N-(2-methoxyphenyl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

IUPAC name

N-(2-methoxyphenyl)-2-{[5-(propan-2-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}acetamide

SMILES

CC(C)n1c2nc(SCC(Nc(cccc3)c3OC)=O)nnc2c2c1cccc2

InChI

InChI=1S/C21H21N5O2S/c1-13(2)26-16-10-6-4-8-14(16)19-20(26)23-21(25-24-19)29-12-18(27)22-15-9-5-7-11-17(15)28-3/h4-11,13H,12H2,1-3H3,(H,22,27)

InChI Key

DGWSBKABILBWIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-3.89

Polar Surface Area

64.136

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

5471-0019 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5471-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5471-0019?
Check Price and Availability of 5471-0019, 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 5471-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5471-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5471-0019
  • 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 5471-0019 available by request