4802-0187 Screening compound: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

4802-0187 Screening compound: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2-dihydroquinolin-1-yl)ethan-1-one
4802-0187 Screening compound: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2-dihydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0187
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

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

4802-0187

Molecular Formula

C23H23N3O2S (C23 H23 N3 O2 S)

Compound Name

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

IUPAC name

2-[(5-phenyl-134-oxadiazol-2-yl)sulfanyl]-1-(2246-tetramethyl-12-dihydroquinolin-1-yl)ethan-1-one

SMILES

CC1(C)N(C(CSc2nnc(-c3ccccc3)o2)=O)c(ccc(C)c2)c2C(C)=C1

InChI

InChI=1S/C23H23N3O2S/c1-15-10-11-19-18(12-15)16(2)13-23(3,4)26(19)20(27)14-29-22-25-24-21(28-22)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3

InChI Key

AYQGFKIZSAKEBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03009493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.857

Distribution Coefficient, logD

4.857

Water Solubility, LogSw

-4.65

Polar Surface Area

43.894

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

4802-0187 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Ion Channels Annotated Library (353 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4802-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0187?
Check Price and Availability of 4802-0187, 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 4802-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0187
  • 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 4802-0187 available by request