8008-8337 Screening compound: N-(4-ethylphenyl)-2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetamide

8008-8337 Screening compound: N-(4-ethylphenyl)-2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetamide
8008-8337 Screening compound: N-(4-ethylphenyl)-2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8337
N-(4-ethylphenyl)-2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetamide

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

8008-8337

Molecular Formula

C18H19N3OS (C18 H19 N3 OS)

Compound Name

N-(4-ethylphenyl)-2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetamide

IUPAC name

N-(4-ethylphenyl)-2-[2-(methylsulfanyl)-1H-13-benzodiazol-1-yl]acetamide

SMILES

CCc(cc1)ccc1NC(Cn1c(SC)nc2c1cccc2)=O

InChI

InChI=1S/C18H19N3OS/c1-3-13-8-10-14(11-9-13)19-17(22)12-21-16-7-5-4-6-15(16)20-18(21)23-2/h4-11H,3,12H2,1-2H3,(H,19,22)

InChI Key

YVTQQBUMRYYLDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01199691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.831

Distribution Coefficient, logD

4.831

Water Solubility, LogSw

-4.49

Polar Surface Area

33.898

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8008-8337 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8008-8337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8337?
Check Price and Availability of 8008-8337, 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 8008-8337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8337
  • 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 8008-8337 available by request