8011-0363 Screening compound: 4-[5-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzamide

8011-0363 Screening compound: 4-[5-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzamide
8011-0363 Screening compound: 4-[5-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0363
4-[5-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzamide

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

8011-0363

Molecular Formula

C19H20N6O2S (C19 H20 N6 O2 S)

Compound Name

4-[5-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzamide

IUPAC name

4-[5-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-1234-tetrazol-1-yl]benzamide

SMILES

CCc(cccc1C)c1NC(CSc1nnnn1-c(cc1)ccc1C(N)=O)=O

InChI

InChI=1S/C19H20N6O2S/c1-3-13-6-4-5-12(2)17(13)21-16(26)11-28-19-22-23-24-25(19)15-9-7-14(8-10-15)18(20)27/h4-10H,3,11H2,1-2H3,(H2,20,27)(H,21,26)

InChI Key

ZJAMMJOYASGBJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02039677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-2.53

Polar Surface Area

95.701

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8011-0363 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0363?
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What is the minimum amount of 8011-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0363
  • 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 8011-0363 available by request