D583-0441 Screening compound: N-[(5-{[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide

D583-0441 Screening compound: N-[(5-{[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
D583-0441 Screening compound: N-[(5-{[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-0441
N-[(5-{[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-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

D583-0441

Molecular Formula

C24H27N5O3S2 (C24 H27 N5 O3 S2)

Compound Name

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

IUPAC name

N-[(5-{[2-(12-dimethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-124-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide

SMILES

Cc1c(C(CSc2nnc(CN(c3ccc(C)cc3)S(C)(=O)=O)n2C)=O)c(cccc2)c2n1C

InChI

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

InChI Key

OOWNZVWLHQCAEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833841

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

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

2.873

Water Solubility, LogSw

-3.30

Polar Surface Area

73.145

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with D583-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-0441?
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What is the minimum amount of D583-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-0441
  • 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 D583-0441 available by request