8451-09117 Screening compound: 2-{[(4-iodophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,3,4-oxadiazole

8451-09117 Screening compound: 2-{[(4-iodophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,3,4-oxadiazole
8451-09117 Screening compound: 2-{[(4-iodophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-09117
2-{[(4-iodophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-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

8451-09117

Molecular Formula

C16H13IN2O2S (C16 H13 IN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H13IN2O2S/c1-20-14-8-4-12(5-9-14)15-18-19-16(21-15)22-10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3

InChI Key

MCXAZLOLCFNUBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10465605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.597

Distribution Coefficient, logD

4.597

Water Solubility, LogSw

-4.41

Polar Surface Area

37.608

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8451-09117 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8451-09117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-09117?
Check Price and Availability of 8451-09117, 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 8451-09117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-09117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-09117
  • 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 8451-09117 available by request