5618-4578 Screening compound: 2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

5618-4578 Screening compound: 2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid
5618-4578 Screening compound: 2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-4578
2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

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

5618-4578

Molecular Formula

C11H10N2O3S (C11 H10 N2 O3 S)

Compound Name

2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

IUPAC name

2-{[5-(4-methylphenyl)-134-oxadiazol-2-yl]sulfanyl}acetic acid

SMILES

Cc(cc1)ccc1-c(o1)nnc1SCC(O)=O

InChI

InChI=1S/C11H10N2O3S/c1-7-2-4-8(5-3-7)10-12-13-11(16-10)17-6-9(14)15/h2-5H,6H2,1H3,(H,14,15)

InChI Key

JVAYHHXHKYMQEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01818887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.593

Distribution Coefficient, logD

-1.700

Water Solubility, LogSw

-1.93

Polar Surface Area

58.719

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5618-4578 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5618-4578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-4578?
Check Price and Availability of 5618-4578, 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 5618-4578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-4578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-4578
  • 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 5618-4578 available by request