8014-2048 Screening compound: 3,5-bis[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine

8014-2048 Screening compound: 3,5-bis[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
8014-2048 Screening compound: 3,5-bis[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2048
3,5-bis[(2,4-dichlorobenzyl)sulfanyl]-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

8014-2048

Molecular Formula

C16H12Cl4N4S2 (C16 H12 Cl4 N4 S2)

Compound Name

3,5-bis[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine

IUPAC name

bis({[(24-dichlorophenyl)methyl]sulfanyl})-4H-124-triazol-4-amine

SMILES

Nn1c(SCc(ccc(Cl)c2)c2Cl)nnc1SCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C16H12Cl4N4S2/c17-11-3-1-9(13(19)5-11)7-25-15-22-23-16(24(15)21)26-8-10-2-4-12(18)6-14(10)20/h1-6H,7-8,21H2

InChI Key

XSKBBTWRTPDECC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.339

Distribution Coefficient, logD

6.339

Water Solubility, LogSw

-6.55

Polar Surface Area

42.721

Acid Dissociation Constant (pKa)

19.47

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8014-2048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2048?
Check Price and Availability of 8014-2048, 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 8014-2048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2048
  • 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 8014-2048 available by request