8388-1002 Screening compound: 2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine

8388-1002 Screening compound: 2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine
8388-1002 Screening compound: 2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-1002
2-(5-{[(4-chlorophenyl)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

8388-1002

Molecular Formula

C11H12ClN3OS (C11 H12 ClN3 OS)

Compound Name

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

IUPAC name

2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-134-oxadiazol-2-yl)ethan-1-amine

SMILES

NCCc(o1)nnc1SCc(cc1)ccc1Cl

InChI

InChI=1S/C11H12ClN3OS/c12-9-3-1-8(2-4-9)7-17-11-15-14-10(16-11)5-6-13/h1-4H,5-7,13H2

InChI Key

KFPJPSWQJXTPMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04031859

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

269.75

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

1.169

Distribution Coefficient, logD

-0.566

Water Solubility, LogSw

-2.43

Polar Surface Area

51.157

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8388-1002 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8388-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-1002?
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What is the minimum amount of 8388-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-1002
  • 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 8388-1002 available by request