4921-0191 Screening compound: N-(4-chlorophenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

4921-0191 Screening compound: N-(4-chlorophenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
4921-0191 Screening compound: N-(4-chlorophenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4921-0191
N-(4-chlorophenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)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

4921-0191

Molecular Formula

C20H20ClN3O3S (C20 H20 ClN3 O3 S)

Compound Name

N-(4-chlorophenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

IUPAC name

N-(4-chlorophenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-134-oxadiazol-2-yl}sulfanyl)acetamide

SMILES

COc1ccc(CCCc(o2)nnc2SCC(Nc(cc2)ccc2Cl)=O)cc1

InChI

InChI=1S/C20H20ClN3O3S/c1-26-17-11-5-14(6-12-17)3-2-4-19-23-24-20(27-19)28-13-18(25)22-16-9-7-15(21)8-10-16/h5-12H,2-4,13H2,1H3,(H,22,25)

InChI Key

AQIRYAUBMNBGJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04086057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.570

Distribution Coefficient, logD

4.570

Water Solubility, LogSw

-4.74

Polar Surface Area

60.423

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4921-0191 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4921-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4921-0191?
Check Price and Availability of 4921-0191, 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 4921-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4921-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4921-0191
  • 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 4921-0191 available by request