D580-0497 Screening compound: 2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide

D580-0497 Screening compound: 2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
D580-0497 Screening compound: 2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-0497
2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]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

D580-0497

Molecular Formula

C20H22FN5O3S3 (C20 H22 FN5 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCC(Nc2cc(SC)ccc2)=O)nnc1CN(c(cc1)ccc1F)S(C)(=O)=O

InChI

InChI=1S/C20H22FN5O3S3/c1-25-18(12-26(32(3,28)29)16-9-7-14(21)8-10-16)23-24-20(25)31-13-19(27)22-15-5-4-6-17(11-15)30-2/h4-11H,12-13H2,1-3H3,(H,22,27)

InChI Key

OKJOMYBOYKPYBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.442

Distribution Coefficient, logD

2.442

Water Solubility, LogSw

-3.01

Polar Surface Area

80.766

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D580-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-0497?
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What is the minimum amount of D580-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-0497
  • 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 D580-0497 available by request