8008-6409 Screening compound: 2-({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(9H-fluoren-2-yl)ethan-1-one

8008-6409 Screening compound: 2-({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(9H-fluoren-2-yl)ethan-1-one
8008-6409 Screening compound: 2-({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(9H-fluoren-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6409
2-({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(9H-fluoren-2-yl)ethan-1-one

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

8008-6409

Molecular Formula

C36H41N3O2S (C36 H41 N3 O2 S)

Compound Name

2-({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(9H-fluoren-2-yl)ethan-1-one

IUPAC name

2-({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl}sulfanyl)-1-(9H-fluoren-2-yl)ethan-1-one

SMILES

CCCCCCCCCCOc(cc1)ccc1-c(n1CC=C)nnc1SCC(c(cc1)cc(C2)c1-c1c2cccc1)=O

InChI

InChI=1S/C36H41N3O2S/c1-3-5-6-7-8-9-10-13-23-41-31-19-16-27(17-20-31)35-37-38-36(39(35)22-4-2)42-26-34(40)29-18-21-33-30(25-29)24-28-14-11-12-15-32(28)33/h4,11-12,14-21,25H,2-3,5-10,13,22-24,26H2,1H3

InChI Key

AYUKRLIAHUVWPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01414437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

10.946

Distribution Coefficient, logD

10.946

Water Solubility, LogSw

-5.69

Polar Surface Area

44.899

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.10

8008-6409 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

DGK Inhibitors Library (10558 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-6409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6409?
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What is the minimum amount of 8008-6409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6409
  • 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 8008-6409 available by request