6623-1226 Screening compound: N-(3-acetylphenyl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide

6623-1226 Screening compound: N-(3-acetylphenyl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide
6623-1226 Screening compound: N-(3-acetylphenyl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1226
N-(3-acetylphenyl)-2-({5-propyl-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

6623-1226

Molecular Formula

C22H21N5O2S (C22 H21 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c2nc(SCC(Nc3cc(C(C)=O)ccc3)=O)nnc2c2c1cccc2

InChI

InChI=1S/C22H21N5O2S/c1-3-11-27-18-10-5-4-9-17(18)20-21(27)24-22(26-25-20)30-13-19(29)23-16-8-6-7-15(12-16)14(2)28/h4-10,12H,3,11,13H2,1-2H3,(H,23,29)

InChI Key

GBEUKPQDLQGKPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-3.98

Polar Surface Area

69.933

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

6623-1226 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6623-1226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1226?
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What is the minimum amount of 6623-1226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1226
  • 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 6623-1226 available by request