8006-6564 Screening compound: 5-hexyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol

8006-6564 Screening compound: 5-hexyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
8006-6564 Screening compound: 5-hexyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6564
5-hexyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol

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

8006-6564

Molecular Formula

C15H23N3S (C15 H23 N3 S)

Compound Name

5-hexyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol

IUPAC name

5-hexyl-5-methyl-2-phenyl-25-dihydro-1H-124-triazole-3-thiol

SMILES

CCCCCCC(C)(NN1c2ccccc2)N=C1S

InChI

InChI=1S/C15H23N3S/c1-3-4-5-9-12-15(2)16-14(19)18(17-15)13-10-7-6-8-11-13/h6-8,10-11,17H,3-5,9,12H2,1-2H3,(H,16,19)/t15-/m1/s1

InChI Key

SICFWIJQWWRONM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00503031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

0.846

Water Solubility, LogSw

-4.34

Polar Surface Area

25.822

Acid Dissociation Constant (pKa)

3.64

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

8006-6564 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-6564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6564?
Check Price and Availability of 8006-6564, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8006-6564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6564
  • 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 8006-6564 available by request