D583-1807 Screening compound: N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-methylphenyl)methanesulfonamide

D583-1807 Screening compound: N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-methylphenyl)methanesulfonamide
D583-1807 Screening compound: N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-methylphenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-1807
N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-methylphenyl)methanesulfonamide

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

D583-1807

Molecular Formula

C20H22N4O3S2 (C20 H22 N4 O3 S2)

Compound Name

N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-methylphenyl)methanesulfonamide

IUPAC name

N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-124-triazol-3-yl}methyl)-N-(4-methylphenyl)methanesulfonamide

SMILES

Cc(cc1)ccc1N(Cc(n1C)nnc1SCC(c1ccccc1)=O)S(C)(=O)=O

InChI

InChI=1S/C20H22N4O3S2/c1-15-9-11-17(12-10-15)24(29(3,26)27)13-19-21-22-20(23(19)2)28-14-18(25)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3

InChI Key

QZQFLKDZMOVTIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

2.397

Water Solubility, LogSw

-2.62

Polar Surface Area

70.863

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D583-1807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-1807?
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What is the minimum amount of D583-1807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-1807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-1807
  • 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 D583-1807 available by request