8008-8563 Screening compound: 2-[({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]pyridine

8008-8563 Screening compound: 2-[({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]pyridine
8008-8563 Screening compound: 2-[({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8563
2-[({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]pyridine

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

8008-8563

Molecular Formula

C27H36N4OS (C27 H36 N4 OS)

Compound Name

2-[({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]pyridine

IUPAC name

2-[({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl}sulfanyl)methyl]pyridine

SMILES

CCCCCCCCCCOc(cc1)ccc1-c(n1CC=C)nnc1SCc1ncccc1

InChI

InChI=1S/C27H36N4OS/c1-3-5-6-7-8-9-10-13-21-32-25-17-15-23(16-18-25)26-29-30-27(31(26)20-4-2)33-22-24-14-11-12-19-28-24/h4,11-12,14-19H,2-3,5-10,13,20-22H2,1H3

InChI Key

NKHZZZCFQXCURY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.032

Distribution Coefficient, logD

7.984

Water Solubility, LogSw

-5.86

Polar Surface Area

41.180

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 8008-8563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8563?
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What is the minimum amount of 8008-8563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8563
  • 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 8008-8563 available by request