3601-0913 Screening compound: 5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-fluorophenyl)-1H-1,2,3,4-tetrazole

3601-0913 Screening compound: 5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-fluorophenyl)-1H-1,2,3,4-tetrazole
3601-0913 Screening compound: 5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-fluorophenyl)-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0913
5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-fluorophenyl)-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

3601-0913

Molecular Formula

C15H10ClFN4O2S (C15 H10 ClFN4 O2 S)

Compound Name

5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-fluorophenyl)-1H-1,2,3,4-tetrazole

IUPAC name

5-{[(6-chloro-2H-13-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-fluorophenyl)-1H-1234-tetrazole

SMILES

Fc(cccc1)c1-n1nnnc1SCc(cc1OCOc1c1)c1Cl

InChI

InChI=1S/C15H10ClFN4O2S/c16-10-6-14-13(22-8-23-14)5-9(10)7-24-15-18-19-20-21(15)12-4-2-1-3-11(12)17/h1-6H,7-8H2

InChI Key

VDRFWLKRWJTIFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.48

Polar Surface Area

56.703

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3601-0913 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3601-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0913?
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What is the minimum amount of 3601-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0913
  • 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 3601-0913 available by request