1586-0032 Screening compound: 1-benzyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

1586-0032 Screening compound: 1-benzyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole
1586-0032 Screening compound: 1-benzyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1586-0032
1-benzyl-2-{[2-(4-methylphenoxy)ethyl]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

1586-0032

Molecular Formula

C23H22N2OS (C23 H22 N2 OS)

Compound Name

1-benzyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

1-benzyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1OCCSc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C23H22N2OS/c1-18-11-13-20(14-12-18)26-15-16-27-23-24-21-9-5-6-10-22(21)25(23)17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3

InChI Key

IGVVBNKMJIXCAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.096

Distribution Coefficient, logD

6.096

Water Solubility, LogSw

-5.60

Polar Surface Area

17.895

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

1586-0032 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1586-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1586-0032?
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What is the minimum amount of 1586-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1586-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1586-0032
  • 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 1586-0032 available by request