5417-0905 Screening compound: 4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

5417-0905 Screening compound: 4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide
5417-0905 Screening compound: 4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5417-0905
4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

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

5417-0905

Molecular Formula

C15H12FN5OS (C15 H12 FN5 OS)

Compound Name

4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1234-tetrazol-1-yl)benzamide

SMILES

NC(c(cc1)ccc1-n1nnnc1SCc(cc1)ccc1F)=O

InChI

InChI=1S/C15H12FN5OS/c16-12-5-1-10(2-6-12)9-23-15-18-19-20-21(15)13-7-3-11(4-8-13)14(17)22/h1-8H,9H2,(H2,17,22)

InChI Key

STKRHDHWGOTREV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.895

Distribution Coefficient, logD

1.895

Water Solubility, LogSw

-2.37

Polar Surface Area

73.948

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

5417-0905 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 5417-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5417-0905?
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What is the minimum amount of 5417-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5417-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5417-0905
  • 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 5417-0905 available by request