D583-2289 Screening compound: N-(4-methoxyphenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

D583-2289 Screening compound: N-(4-methoxyphenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
D583-2289 Screening compound: N-(4-methoxyphenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-2289
N-(4-methoxyphenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)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

D583-2289

Molecular Formula

C20H23N5O4S2 (C20 H23 N5 O4 S2)

Compound Name

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

IUPAC name

N-(4-methoxyphenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

Cn1c(SCC(Nc(cc2)ccc2OC)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C20H23N5O4S2/c1-24-18(13-25(31(3,27)28)16-7-5-4-6-8-16)22-23-20(24)30-14-19(26)21-15-9-11-17(29-2)12-10-15/h4-12H,13-14H2,1-3H3,(H,21,26)

InChI Key

RUASMVYRHFGCDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.57

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

1.813

Distribution Coefficient, logD

1.813

Water Solubility, LogSw

-2.52

Polar Surface Area

88.309

Acid Dissociation Constant (pKa)

12.47

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 D583-2289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-2289?
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What is the minimum amount of D583-2289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-2289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-2289
  • 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 D583-2289 available by request