2001-0004 Screening compound: 2-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)ethan-1-ol

2001-0004 Screening compound: 2-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)ethan-1-ol
2001-0004 Screening compound: 2-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2001-0004
2-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)ethan-1-ol

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

2001-0004

Molecular Formula

C18H20N2O2S (C18 H20 N2 O2 S)

Compound Name

2-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)ethan-1-ol

IUPAC name

2-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)ethan-1-ol

SMILES

Cc(cccc1)c1OCCSc1nc(cccc2)c2n1CCO

InChI

InChI=1S/C18H20N2O2S/c1-14-6-2-5-9-17(14)22-12-13-23-18-19-15-7-3-4-8-16(15)20(18)10-11-21/h2-9,21H,10-13H2,1H3

InChI Key

JQTZRMHYTDFDTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.948

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-3.99

Polar Surface Area

34.887

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 2001-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2001-0004?
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What is the minimum amount of 2001-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2001-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2001-0004
  • 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 2001-0004 available by request