2001-0115 Screening compound: 1-[2-(2-methoxyphenoxy)ethyl]-2-(methylsulfanyl)-1H-1,3-benzodiazole

2001-0115 Screening compound: 1-[2-(2-methoxyphenoxy)ethyl]-2-(methylsulfanyl)-1H-1,3-benzodiazole
2001-0115 Screening compound: 1-[2-(2-methoxyphenoxy)ethyl]-2-(methylsulfanyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2001-0115
1-[2-(2-methoxyphenoxy)ethyl]-2-(methylsulfanyl)-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

2001-0115

Molecular Formula

C17H18N2O2S (C17 H18 N2 O2 S)

Compound Name

1-[2-(2-methoxyphenoxy)ethyl]-2-(methylsulfanyl)-1H-1,3-benzodiazole

IUPAC name

1-[2-(2-methoxyphenoxy)ethyl]-2-(methylsulfanyl)-1H-13-benzodiazole

SMILES

COc(cccc1)c1OCCn1c(SC)nc2c1cccc2

InChI

InChI=1S/C17H18N2O2S/c1-20-15-9-5-6-10-16(15)21-12-11-19-14-8-4-3-7-13(14)18-17(19)22-2/h3-10H,11-12H2,1-2H3

InChI Key

CVIMPZZSCUYGTC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.239

Distribution Coefficient, logD

4.239

Water Solubility, LogSw

-4.32

Polar Surface Area

25.862

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 2001-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2001-0115?
Check Price and Availability of 2001-0115, 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 2001-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2001-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2001-0115
  • 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 2001-0115 available by request