8126-1697 Screening compound: 2-{[(4-iodophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-1,3,4-oxadiazole

8126-1697 Screening compound: 2-{[(4-iodophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-1,3,4-oxadiazole
8126-1697 Screening compound: 2-{[(4-iodophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8126-1697
2-{[(4-iodophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-1,3,4-oxadiazole

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

8126-1697

Molecular Formula

C16H13IN2OS (C16 H13 IN2 OS)

Compound Name

2-{[(4-iodophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-1,3,4-oxadiazole

IUPAC name

2-{[(4-iodophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-134-oxadiazole

SMILES

Cc(cc1)ccc1-c(o1)nnc1SCc(cc1)ccc1I

InChI

InChI=1S/C16H13IN2OS/c1-11-2-6-13(7-3-11)15-18-19-16(20-15)21-10-12-4-8-14(17)9-5-12/h2-9H,10H2,1H3

InChI Key

KNBWMVQYFBSGQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10465596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.038

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-4.66

Polar Surface Area

30.064

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8126-1697 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8126-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8126-1697?
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What is the minimum amount of 8126-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8126-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8126-1697
  • 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 8126-1697 available by request