D580-1012 Screening compound: N-[(4-methyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide

D580-1012 Screening compound: N-[(4-methyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
D580-1012 Screening compound: N-[(4-methyl-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 D580-1012
N-[(4-methyl-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

D580-1012

Molecular Formula

C19H27N5O3S2 (C19 H27 N5 O3 S2)

Compound Name

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

SMILES

Cc(cc1)ccc1N(Cc(n1C)nnc1SCC(N1CCCCC1)=O)S(C)(=O)=O

InChI

InChI=1S/C19H27N5O3S2/c1-15-7-9-16(10-8-15)24(29(3,26)27)13-17-20-21-19(22(17)2)28-14-18(25)23-11-5-4-6-12-23/h7-10H,4-6,11-14H2,1-3H3

InChI Key

JDNSRSYKAVQAOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.638

Distribution Coefficient, logD

1.638

Water Solubility, LogSw

-2.36

Polar Surface Area

74.009

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

D580-1012 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D580-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-1012?
Check Price and Availability of D580-1012, 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 D580-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-1012
  • 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 D580-1012 available by request