D580-0518 Screening compound: N-(2-cyanophenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

D580-0518 Screening compound: N-(2-cyanophenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
D580-0518 Screening compound: N-(2-cyanophenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-0518
N-(2-cyanophenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-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

D580-0518

Molecular Formula

C20H19FN6O3S2 (C20 H19 FN6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCC(Nc(cccc2)c2C#N)=O)nnc1CN(c(cc1)ccc1F)S(C)(=O)=O

InChI

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

InChI Key

YFJAYKUQSYOVNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

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

1.398

Distribution Coefficient, logD

1.397

Water Solubility, LogSw

-2.58

Polar Surface Area

97.124

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D580-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-0518?
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What is the minimum amount of D580-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-0518
  • 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 D580-0518 available by request