D580-0580 Screening compound: 2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

D580-0580 Screening compound: 2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
D580-0580 Screening compound: 2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-0580
2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)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

D580-0580

Molecular Formula

C17H19FN6O3S3 (C17 H19 FN6 O3 S3)

Compound Name

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

IUPAC name

2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-124-triazol-3-yl)sulfanyl]-N-(13-thiazol-2-yl)acetamide

SMILES

CCn1c(SCC(Nc2nccs2)=O)nnc1CN(c(cc1)ccc1F)S(C)(=O)=O

InChI

InChI=1S/C17H19FN6O3S3/c1-3-23-14(10-24(30(2,26)27)13-6-4-12(18)5-7-13)21-22-17(23)29-11-15(25)20-16-19-8-9-28-16/h4-9H,3,10-11H2,1-2H3,(H,19,20,25)

InChI Key

VYFQFGRUCUQDCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

1.761

Water Solubility, LogSw

-2.63

Polar Surface Area

90.159

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D580-0580 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D580-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-0580?
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What is the minimum amount of D580-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-0580
  • 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 D580-0580 available by request