5417-0728 Screening compound: N-cyclohexyl-2-{[1-(4-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide

5417-0728 Screening compound: N-cyclohexyl-2-{[1-(4-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide
5417-0728 Screening compound: N-cyclohexyl-2-{[1-(4-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5417-0728
N-cyclohexyl-2-{[1-(4-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide

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

5417-0728

Molecular Formula

C15H19N5O2S (C15 H19 N5 O2 S)

Compound Name

N-cyclohexyl-2-{[1-(4-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide

IUPAC name

N-cyclohexyl-2-{[1-(4-hydroxyphenyl)-1H-1234-tetrazol-5-yl]sulfanyl}acetamide

SMILES

Oc(cc1)ccc1-n1nnnc1SCC(NC1CCCCC1)=O

InChI

InChI=1S/C15H19N5O2S/c21-13-8-6-12(7-9-13)20-15(17-18-19-20)23-10-14(22)16-11-4-2-1-3-5-11/h6-9,11,21H,1-5,10H2,(H,16,22)

InChI Key

XLKFOXJIBJZTRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.171

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-2.45

Polar Surface Area

81.703

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

5417-0728 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5417-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5417-0728?
Check Price and Availability of 5417-0728, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5417-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5417-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5417-0728
  • 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 5417-0728 available by request