4327-3346 Screening compound: 1-cyclohexyl-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1,2,3,4-tetrazole

4327-3346 Screening compound: 1-cyclohexyl-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1,2,3,4-tetrazole
4327-3346 Screening compound: 1-cyclohexyl-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-3346
1-cyclohexyl-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1,2,3,4-tetrazole

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

4327-3346

Molecular Formula

C16H22N4O2S (C16 H22 N4 O2 S)

Compound Name

1-cyclohexyl-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1,2,3,4-tetrazole

IUPAC name

1-cyclohexyl-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1234-tetrazole

SMILES

COc(cccc1)c1OCCSc1nnnn1C1CCCCC1

InChI

InChI=1S/C16H22N4O2S/c1-21-14-9-5-6-10-15(14)22-11-12-23-16-17-18-19-20(16)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3

InChI Key

FCXCUUATRMHEGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.30

Polar Surface Area

54.857

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

4327-3346 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4327-3346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-3346?
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What is the minimum amount of 4327-3346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-3346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-3346
  • 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 4327-3346 available by request