8008-6453 Screening compound: 3-[(4-cyclohexylphenoxy)methyl]-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

8008-6453 Screening compound: 3-[(4-cyclohexylphenoxy)methyl]-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
8008-6453 Screening compound: 3-[(4-cyclohexylphenoxy)methyl]-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6453
3-[(4-cyclohexylphenoxy)methyl]-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

8008-6453

Molecular Formula

C28H36N4OS (C28 H36 N4 OS)

Compound Name

3-[(4-cyclohexylphenoxy)methyl]-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-[(4-cyclohexylphenoxy)methyl]-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-45-dihydro-1H-124-triazole-5-thione

SMILES

CC1CCN(CN(C2=S)N=C(COc3ccc(C4CCCCC4)cc3)N2c2ccccc2)CC1

InChI

InChI=1S/C28H36N4OS/c1-22-16-18-30(19-17-22)21-31-28(34)32(25-10-6-3-7-11-25)27(29-31)20-33-26-14-12-24(13-15-26)23-8-4-2-5-9-23/h3,6-7,10-15,22-23H,2,4-5,8-9,16-21H2,1H3

InChI Key

YFUAXWWGCSAOAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01414418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.523

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-5.70

Polar Surface Area

30.929

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8008-6453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6453?
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What is the minimum amount of 8008-6453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6453
  • 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 8008-6453 available by request