8388-1010 Screening compound: 2-(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine

8388-1010 Screening compound: 2-(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine
8388-1010 Screening compound: 2-(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-1010
2-(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine

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

8388-1010

Molecular Formula

C11H11ClFN3OS (C11 H11 ClFN3 OS)

Compound Name

2-(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine

IUPAC name

2-(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-134-oxadiazol-2-yl)ethan-1-amine

SMILES

NCCc(o1)nnc1SCc(c(F)ccc1)c1Cl

InChI

InChI=1S/C11H11ClFN3OS/c12-8-2-1-3-9(13)7(8)6-18-11-16-15-10(17-11)4-5-14/h1-3H,4-6,14H2

InChI Key

XOWUYKBMMXQYSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04032737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.600

Distribution Coefficient, logD

-0.134

Water Solubility, LogSw

-2.43

Polar Surface Area

51.157

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8388-1010 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8388-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-1010?
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What is the minimum amount of 8388-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-1010
  • 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 8388-1010 available by request