8388-0727 Screening compound: 1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-phenylethan-1-amine

8388-0727 Screening compound: 1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-phenylethan-1-amine
8388-0727 Screening compound: 1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-phenylethan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0727
1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-phenylethan-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

8388-0727

Molecular Formula

C17H16ClN3OS (C17 H16 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

N[C@@H](Cc1ccccc1)c(o1)nnc1SCc(cccc1)c1Cl

InChI

InChI=1S/C17H16ClN3OS/c18-14-9-5-4-8-13(14)11-23-17-21-20-16(22-17)15(19)10-12-6-2-1-3-7-12/h1-9,15H,10-11,19H2/t15-/m0/s1

InChI Key

ZDZBVNSIGYFVID-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

2.695

Water Solubility, LogSw

-3.36

Polar Surface Area

50.853

Acid Dissociation Constant (pKa)

24.34

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8388-0727 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8388-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0727?
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What is the minimum amount of 8388-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0727
  • 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 8388-0727 available by request