1586-0043 Screening compound: 2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1,3-benzoxazole

1586-0043 Screening compound: 2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1,3-benzoxazole
1586-0043 Screening compound: 2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1586-0043
2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1,3-benzoxazole

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

1586-0043

Molecular Formula

C16H15NO3S (C16 H15 NO3 S)

Compound Name

2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1,3-benzoxazole

IUPAC name

2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-13-benzoxazole

SMILES

COc(cc1)ccc1OCCSc1nc(cccc2)c2o1

InChI

InChI=1S/C16H15NO3S/c1-18-12-6-8-13(9-7-12)19-10-11-21-16-17-14-4-2-3-5-15(14)20-16/h2-9H,10-11H2,1H3

InChI Key

DPCZJBZADDUHLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00981710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.28

Polar Surface Area

31.592

Acid Dissociation Constant (pKa)

25.96

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 1586-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1586-0043?
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What is the minimum amount of 1586-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1586-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1586-0043
  • 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 1586-0043 available by request