5069-0051 Screening compound: 3-(benzylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine

5069-0051 Screening compound: 3-(benzylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
5069-0051 Screening compound: 3-(benzylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5069-0051
3-(benzylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine

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

5069-0051

Molecular Formula

C10H9F3N4S (C10 H9 F3 N4 S)

Compound Name

3-(benzylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine

IUPAC name

3-(benzylsulfanyl)-5-(trifluoromethyl)-4H-124-triazol-4-amine

SMILES

Nn1c(SCc2ccccc2)nnc1C(F)(F)F

InChI

InChI=1S/C10H9F3N4S/c11-10(12,13)8-15-16-9(17(8)14)18-6-7-4-2-1-3-5-7/h1-5H,6,14H2

InChI Key

YGTGVXHLRHFUAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02172164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.859

Distribution Coefficient, logD

1.859

Water Solubility, LogSw

-1.76

Polar Surface Area

42.411

Acid Dissociation Constant (pKa)

19.55

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5069-0051 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5069-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5069-0051?
Check Price and Availability of 5069-0051, 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 5069-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5069-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5069-0051
  • 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 5069-0051 available by request