4065-0126 Screening compound: 2-{[(3-phenoxyphenyl)methyl]sulfanyl}-1,3-benzoxazole

4065-0126 Screening compound: 2-{[(3-phenoxyphenyl)methyl]sulfanyl}-1,3-benzoxazole
4065-0126 Screening compound: 2-{[(3-phenoxyphenyl)methyl]sulfanyl}-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0126
2-{[(3-phenoxyphenyl)methyl]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

4065-0126

Molecular Formula

C20H15NO2S (C20 H15 NO2 S)

Compound Name

2-{[(3-phenoxyphenyl)methyl]sulfanyl}-1,3-benzoxazole

IUPAC name

2-{[(3-phenoxyphenyl)methyl]sulfanyl}-13-benzoxazole

SMILES

C(c1cc(Oc2ccccc2)ccc1)Sc1nc(cccc2)c2o1

InChI

InChI=1S/C20H15NO2S/c1-2-8-16(9-3-1)22-17-10-6-7-15(13-17)14-24-20-21-18-11-4-5-12-19(18)23-20/h1-13H,14H2

InChI Key

SNKAPUKLIQGXGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00725741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.945

Distribution Coefficient, logD

5.945

Water Solubility, LogSw

-6.13

Polar Surface Area

23.378

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

4065-0126 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4065-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0126?
Check Price and Availability of 4065-0126, 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 4065-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0126
  • 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 4065-0126 available by request