D583-0780 Screening compound: N-[(4-ethyl-5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

D583-0780 Screening compound: N-[(4-ethyl-5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
D583-0780 Screening compound: N-[(4-ethyl-5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-0780
N-[(4-ethyl-5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

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

D583-0780

Molecular Formula

C24H27N5O3S2 (C24 H27 N5 O3 S2)

Compound Name

N-[(4-ethyl-5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

IUPAC name

N-[(4-ethyl-5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-124-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

SMILES

CCn1c(cccc2)c2c(C(CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2CC)=O)c1

InChI

InChI=1S/C24H27N5O3S2/c1-4-27-15-20(19-13-9-10-14-21(19)27)22(30)17-33-24-26-25-23(28(24)5-2)16-29(34(3,31)32)18-11-7-6-8-12-18/h6-15H,4-5,16-17H2,1-3H3

InChI Key

GSURFUWAXFFWDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.189

Distribution Coefficient, logD

3.189

Water Solubility, LogSw

-3.37

Polar Surface Area

71.506

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D583-0780 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D583-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-0780?
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What is the minimum amount of D583-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-0780
  • 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 D583-0780 available by request