8010-0723 Screening compound: 5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H-1,2,3,4-tetrazole

8010-0723 Screening compound: 5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H-1,2,3,4-tetrazole
8010-0723 Screening compound: 5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0723
5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H-1,2,3,4-tetrazole

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

8010-0723

Molecular Formula

C15H11ClN4O2S (C15 H11 ClN4 O2 S)

Compound Name

5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H-1,2,3,4-tetrazole

IUPAC name

5-{[(6-chloro-2H-13-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H-1234-tetrazole

SMILES

Clc1c(CSc2nnnn2-c2ccccc2)cc2OCOc2c1

InChI

InChI=1S/C15H11ClN4O2S/c16-12-7-14-13(21-9-22-14)6-10(12)8-23-15-17-18-19-20(15)11-4-2-1-3-5-11/h1-7H,8-9H2

InChI Key

OYICCNVINKNSCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01871009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-4.40

Polar Surface Area

57.004

Acid Dissociation Constant (pKa)

24.41

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8010-0723 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-0723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0723?
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What is the minimum amount of 8010-0723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0723
  • 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 8010-0723 available by request