5242-1102 Screening compound: 2-({5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide

5242-1102 Screening compound: 2-({5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide
5242-1102 Screening compound: 2-({5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5242-1102
2-({5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3,5-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

5242-1102

Molecular Formula

C19H18ClN3O3S (C19 H18 ClN3 O3 S)

Compound Name

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

IUPAC name

2-({5-[(2-chlorophenoxy)methyl]-134-oxadiazol-2-yl}sulfanyl)-N-(35-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CSc2nnc(COc(cccc3)c3Cl)o2)=O)cc(C)c1

InChI

InChI=1S/C19H18ClN3O3S/c1-12-7-13(2)9-14(8-12)21-17(24)11-27-19-23-22-18(26-19)10-25-16-6-4-3-5-15(16)20/h3-9H,10-11H2,1-2H3,(H,21,24)

InChI Key

YJDDILOHSCXHDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03699912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.10

Polar Surface Area

60.465

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

5242-1102 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 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
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5242-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5242-1102?
Check Price and Availability of 5242-1102, 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 5242-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5242-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5242-1102
  • 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 5242-1102 available by request