4802-0182 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

4802-0182 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2-dihydroquinolin-1-yl)ethan-1-one
4802-0182 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-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 4802-0182
2-[(5-methyl-1,3,4-thiadiazol-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

4802-0182

Molecular Formula

C18H21N3OS2 (C18 H21 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

CC1(C)N(C(CSc2nnc(C)s2)=O)c(ccc(C)c2)c2C(C)=C1

InChI

InChI=1S/C18H21N3OS2/c1-11-6-7-15-14(8-11)12(2)9-18(4,5)21(15)16(22)10-23-17-20-19-13(3)24-17/h6-9H,10H2,1-5H3

InChI Key

FMBLBOACTYGHCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03009122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

3.959

Water Solubility, LogSw

-3.95

Polar Surface Area

36.468

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

4802-0182 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4802-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0182?
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What is the minimum amount of 4802-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0182
  • 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 4802-0182 available by request