3601-0788 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-1,3-benzoxazole

3601-0788 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-1,3-benzoxazole
3601-0788 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0788
2-{[(2-fluorophenyl)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

3601-0788

Molecular Formula

C14H10FNOS (C14 H10 FNOS)

Compound Name

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

IUPAC name

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

SMILES

Fc1c(CSc2nc(cccc3)c3o2)cccc1

InChI

InChI=1S/C14H10FNOS/c15-11-6-2-1-5-10(11)9-18-14-16-12-7-3-4-8-13(12)17-14/h1-8H,9H2

InChI Key

XZHOAOWFXXAZNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.65

Polar Surface Area

16.630

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

3601-0788 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

GABA Library (7115 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3601-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0788?
Check Price and Availability of 3601-0788, 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 3601-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0788
  • 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 3601-0788 available by request