5417-0900 Screening compound: 4-(5-{[(phenylcarbamoyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

5417-0900 Screening compound: 4-(5-{[(phenylcarbamoyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide
5417-0900 Screening compound: 4-(5-{[(phenylcarbamoyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5417-0900
4-(5-{[(phenylcarbamoyl)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

5417-0900

Molecular Formula

C16H14N6O2S (C16 H14 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

NC(c(cc1)ccc1-n1nnnc1SCC(Nc1ccccc1)=O)=O

InChI

InChI=1S/C16H14N6O2S/c17-15(24)11-6-8-13(9-7-11)22-16(19-20-21-22)25-10-14(23)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,24)(H,18,23)

InChI Key

WWXWLMUDBVPARO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.349

Distribution Coefficient, logD

1.349

Water Solubility, LogSw

-2.19

Polar Surface Area

97.097

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

5417-0900 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 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
  • Pool

References: we are preparing a list of scientific research reports with 5417-0900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5417-0900?
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What is the minimum amount of 5417-0900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5417-0900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5417-0900
  • 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 5417-0900 available by request