D580-1272 Screening compound: N-(4-fluorophenyl)-N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

D580-1272 Screening compound: N-(4-fluorophenyl)-N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
D580-1272 Screening compound: N-(4-fluorophenyl)-N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-1272
N-(4-fluorophenyl)-N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]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

D580-1272

Molecular Formula

C20H19FN6O3S2 (C20 H19 FN6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCc2nnc(-c3ccccc3)o2)nnc1CN(c(cc1)ccc1F)S(C)(=O)=O

InChI

InChI=1S/C20H19FN6O3S2/c1-26-17(12-27(32(2,28)29)16-10-8-15(21)9-11-16)22-25-20(26)31-13-18-23-24-19(30-18)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3

InChI Key

YIODLDSCZBDDDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

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

2.170

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-2.54

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

D580-1272 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D580-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-1272?
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What is the minimum amount of D580-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-1272
  • 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 D580-1272 available by request