6290-0059 Screening compound: 2-({5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-acetamidophenyl)acetamide

6290-0059 Screening compound: 2-({5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-acetamidophenyl)acetamide
6290-0059 Screening compound: 2-({5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-acetamidophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6290-0059
2-({5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-acetamidophenyl)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

6290-0059

Molecular Formula

C23H24N6O2S (C23 H24 N6 O2 S)

Compound Name

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

IUPAC name

2-({5-butyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(4-acetamidophenyl)acetamide

SMILES

CCCCn1c2nc(SCC(Nc(cc3)ccc3NC(C)=O)=O)nnc2c2c1cccc2

InChI

InChI=1S/C23H24N6O2S/c1-3-4-13-29-19-8-6-5-7-18(19)21-22(29)26-23(28-27-21)32-14-20(31)25-17-11-9-16(10-12-17)24-15(2)30/h5-12H,3-4,13-14H2,1-2H3,(H,24,30)(H,25,31)

InChI Key

MDSZUHOJNMNHJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04128719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-3.81

Polar Surface Area

79.368

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

6290-0059 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6290-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6290-0059?
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What is the minimum amount of 6290-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6290-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6290-0059
  • 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 6290-0059 available by request