D580-0927 Screening compound: N-[(4-ethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide

D580-0927 Screening compound: N-[(4-ethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
D580-0927 Screening compound: N-[(4-ethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-0927
N-[(4-ethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide

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

D580-0927

Molecular Formula

C20H29N5O3S2 (C20 H29 N5 O3 S2)

Compound Name

N-[(4-ethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide

IUPAC name

N-[(4-ethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-124-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide

SMILES

CCn1c(SCC(N2CCCCC2)=O)nnc1CN(c1ccc(C)cc1)S(C)(=O)=O

InChI

InChI=1S/C20H29N5O3S2/c1-4-24-18(14-25(30(3,27)28)17-10-8-16(2)9-11-17)21-22-20(24)29-15-19(26)23-12-6-5-7-13-23/h8-11H,4-7,12-15H2,1-3H3

InChI Key

IHHNFUSYCXSIRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.252

Distribution Coefficient, logD

2.252

Water Solubility, LogSw

-2.58

Polar Surface Area

72.924

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

D580-0927 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D580-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-0927?
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What is the minimum amount of D580-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-0927
  • 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 D580-0927 available by request