D011-2851 Screening compound: 5-methyl-2-{[3-(3-methylphenoxy)propyl]sulfanyl}-1H-1,3-benzodiazole

D011-2851 Screening compound: 5-methyl-2-{[3-(3-methylphenoxy)propyl]sulfanyl}-1H-1,3-benzodiazole
D011-2851 Screening compound: 5-methyl-2-{[3-(3-methylphenoxy)propyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-2851
5-methyl-2-{[3-(3-methylphenoxy)propyl]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

D011-2851

Molecular Formula

C18H20N2OS (C18 H20 N2 OS)

Compound Name

5-methyl-2-{[3-(3-methylphenoxy)propyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

5-methyl-2-{[3-(3-methylphenoxy)propyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc(cc1)cc2c1[nH]c(SCCCOc1cc(C)ccc1)n2

InChI

InChI=1S/C18H20N2OS/c1-13-5-3-6-15(11-13)21-9-4-10-22-18-19-16-8-7-14(2)12-17(16)20-18/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,20)

InChI Key

UEFCHGVREMRYIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04216971

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

312.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.954

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.66

Polar Surface Area

25.398

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D011-2851 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Human Ion Channels Annotated Library (353 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D011-2851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-2851?
Check Price and Availability of D011-2851, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D011-2851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-2851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-2851
  • 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 D011-2851 available by request