D580-1016 Screening compound: N-(2-fluoro-5-methylphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

D580-1016 Screening compound: N-(2-fluoro-5-methylphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
D580-1016 Screening compound: N-(2-fluoro-5-methylphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-1016
N-(2-fluoro-5-methylphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-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

D580-1016

Molecular Formula

C21H24FN5O3S2 (C21 H24 FN5 O3 S2)

Compound Name

N-(2-fluoro-5-methylphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

N-(2-fluoro-5-methylphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cc(cc1)ccc1N(Cc(n1C)nnc1SCC(Nc(cc(C)cc1)c1F)=O)S(C)(=O)=O

InChI

InChI=1S/C21H24FN5O3S2/c1-14-5-8-16(9-6-14)27(32(4,29)30)12-19-24-25-21(26(19)3)31-13-20(28)23-18-11-15(2)7-10-17(18)22/h5-11H,12-13H2,1-4H3,(H,23,28)

InChI Key

MMGUSKKEALHKKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.661

Distribution Coefficient, logD

2.661

Water Solubility, LogSw

-3.10

Polar Surface Area

80.068

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D580-1016 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 D580-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D580-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-1016
  • 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 D580-1016 available by request