8011-1359 Screening compound: 2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl morpholino sulfone

8011-1359 Screening compound: 2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl morpholino sulfone
8011-1359 Screening compound: 2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl morpholino sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1359
2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl morpholino sulfone

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

8011-1359

Molecular Formula

C20H21N5O5S2 (C20 H21 N5 O5 S2)

Compound Name

2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl morpholino sulfone

IUPAC name

4-{2-[(5-benzyl-4-methyl-4H-124-triazol-3-yl)sulfanyl]-5-nitrobenzenesulfonyl}morpholine

SMILES

Cn1c(Sc(ccc([N+]([O-])=O)c2)c2S(N2CCOCC2)(=O)=O)nnc1Cc1ccccc1

InChI

InChI=1S/C20H21N5O5S2/c1-23-19(13-15-5-3-2-4-6-15)21-22-20(23)31-17-8-7-16(25(26)27)14-18(17)32(28,29)24-9-11-30-12-10-24/h2-8,14H,9-13H2,1H3

InChI Key

WZIDMXIHAZASOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.674

Distribution Coefficient, logD

2.674

Water Solubility, LogSw

-3.01

Polar Surface Area

99.028

Acid Dissociation Constant (pKa)

23.02

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8011-1359 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-1359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1359?
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What is the minimum amount of 8011-1359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1359
  • 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 8011-1359 available by request