6161-0022 Screening compound: 2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide

6161-0022 Screening compound: 2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
6161-0022 Screening compound: 2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6161-0022
2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide

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

6161-0022

Molecular Formula

C18H16BrN3O2S (C18 H16 BrN3 O2 S)

Compound Name

2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide

IUPAC name

2-{[5-(4-bromophenyl)-134-oxadiazol-2-yl]sulfanyl}-N-(24-dimethylphenyl)acetamide

SMILES

Cc(cc1)cc(C)c1NC(CSc1nnc(-c(cc2)ccc2Br)o1)=O

InChI

InChI=1S/C18H16BrN3O2S/c1-11-3-8-15(12(2)9-11)20-16(23)10-25-18-22-21-17(24-18)13-4-6-14(19)7-5-13/h3-9H,10H2,1-2H3,(H,20,23)

InChI Key

TWFUCJXHNGJPOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

4.396

Water Solubility, LogSw

-4.23

Polar Surface Area

52.516

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6161-0022 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6161-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6161-0022?
Check Price and Availability of 6161-0022, 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 6161-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6161-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6161-0022
  • 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 6161-0022 available by request