3601-0046 Screening compound: 1-(3-chlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole

3601-0046 Screening compound: 1-(3-chlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole
3601-0046 Screening compound: 1-(3-chlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0046
1-(3-chlorophenyl)-5-{[(4-fluorophenyl)methyl]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

3601-0046

Molecular Formula

C14H10ClFN4S (C14 H10 ClFN4 S)

Compound Name

1-(3-chlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole

IUPAC name

1-(3-chlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1234-tetrazole

SMILES

Fc1ccc(CSc2nnnn2-c2cccc(Cl)c2)cc1

InChI

InChI=1S/C14H10ClFN4S/c15-11-2-1-3-13(8-11)20-14(17-18-19-20)21-9-10-4-6-12(16)7-5-10/h1-8H,9H2

InChI Key

WZVVHOHYFYDHGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-4.27

Polar Surface Area

39.889

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 3601-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0046?
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What is the minimum amount of 3601-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0046
  • 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 3601-0046 available by request