5417-0901 Screening compound: 4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

5417-0901 Screening compound: 4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide
5417-0901 Screening compound: 4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5417-0901
4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]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

5417-0901

Molecular Formula

C15H18N6O2S (C15 H18 N6 O2 S)

Compound Name

4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1234-tetrazol-1-yl)benzamide

SMILES

NC(c(cc1)ccc1-n1nnnc1SCC(N1CCCCC1)=O)=O

InChI

InChI=1S/C15H18N6O2S/c16-14(23)11-4-6-12(7-5-11)21-15(17-18-19-21)24-10-13(22)20-8-2-1-3-9-20/h4-7H,1-3,8-10H2,(H2,16,23)

InChI Key

QCRXJQVCYIEJQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.804

Distribution Coefficient, logD

0.804

Water Solubility, LogSw

-1.84

Polar Surface Area

90.340

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 5417-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5417-0901?
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What is the minimum amount of 5417-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5417-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5417-0901
  • 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 5417-0901 available by request