D048-0227 Screening compound: 2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole

D048-0227 Screening compound: 2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole
D048-0227 Screening compound: 2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0227
2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole

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

D048-0227

Molecular Formula

C15H14N2OS (C15 H14 N2 OS)

Compound Name

2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole

IUPAC name

2-[(2-phenoxyethyl)sulfanyl]-1H-13-benzodiazole

SMILES

C(CSc1nc(cccc2)c2[nH]1)Oc1ccccc1

InChI

InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)

InChI Key

UEYUFQWEHMSHIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00630578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-3.63

Polar Surface Area

25.398

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D048-0227 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D048-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0227?
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What is the minimum amount of D048-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0227
  • 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 D048-0227 available by request