D347-0357 Screening compound: 2-(2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one

D347-0357 Screening compound: 2-(2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
D347-0357 Screening compound: 2-(2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0357
2-(2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one

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

D347-0357

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

2-(2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-(2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one

SMILES

COc1cccc(OCCSc2nc(cccc3)c3n2CC(N2CCCCC2)=O)c1

InChI

InChI=1S/C23H27N3O3S/c1-28-18-8-7-9-19(16-18)29-14-15-30-23-24-20-10-3-4-11-21(20)26(23)17-22(27)25-12-5-2-6-13-25/h3-4,7-11,16H,2,5-6,12-15,17H2,1H3

InChI Key

GUUQTCDPVFPBCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09360831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

4.251

Water Solubility, LogSw

-4.29

Polar Surface Area

41.831

Acid Dissociation Constant (pKa)

18.80

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D347-0357 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D347-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0357?
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What is the minimum amount of D347-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0357
  • 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 D347-0357 available by request