D580-0493 Screening compound: 2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

D580-0493 Screening compound: 2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
D580-0493 Screening compound: 2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-0493
2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-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

D580-0493

Molecular Formula

C17H19FN6O3S3 (C17 H19 FN6 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

Cc1csc(NC(CSc2nnc(CN(c(cc3)ccc3F)S(C)(=O)=O)n2C)=O)n1

InChI

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

InChI Key

QARSLNTWAQBIKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593898

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

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.540

Distribution Coefficient, logD

1.534

Water Solubility, LogSw

-2.56

Polar Surface Area

90.619

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D580-0493 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D580-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-0493?
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What is the minimum amount of D580-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-0493
  • 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 D580-0493 available by request