D583-0676 Screening compound: N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

D583-0676 Screening compound: N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
D583-0676 Screening compound: N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-0676
N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

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

D583-0676

Molecular Formula

C20H20N6O3S2 (C20 H20 N6 O3 S2)

Compound Name

N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

IUPAC name

N-[(4-methyl-5-{[(5-phenyl-134-oxadiazol-2-yl)methyl]sulfanyl}-4H-124-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

SMILES

Cn1c(SCc2nnc(-c3ccccc3)o2)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C20H20N6O3S2/c1-25-17(13-26(31(2,27)28)16-11-7-4-8-12-16)21-24-20(25)30-14-18-22-23-19(29-18)15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3

InChI Key

CALGSVJINSWISD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.019

Distribution Coefficient, logD

2.019

Water Solubility, LogSw

-2.40

Polar Surface Area

87.798

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D583-0676 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 D583-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-0676?
Check Price and Availability of D583-0676, 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 D583-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-0676
  • 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 D583-0676 available by request