3389-2721 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one

3389-2721 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one
3389-2721 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-2721
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-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

3389-2721

Molecular Formula

C24H27N3OS2 (C24 H27 N3 OS2)

Compound Name

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one

IUPAC name

2-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]-1-[224-trimethyl-4-(4-methylphenyl)-1234-tetrahydroquinolin-1-yl]ethan-1-one

SMILES

CC(C)(CC1(C)c2ccc(C)cc2)N(C(CSc2nnc(C)s2)=O)c2c1cccc2

InChI

InChI=1S/C24H27N3OS2/c1-16-10-12-18(13-11-16)24(5)15-23(3,4)27(20-9-7-6-8-19(20)24)21(28)14-29-22-26-25-17(2)30-22/h6-13H,14-15H2,1-5H3/t24-/m0/s1

InChI Key

SNNWIBXDGDALNQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01562962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.103

Distribution Coefficient, logD

5.103

Water Solubility, LogSw

-4.93

Polar Surface Area

36.197

Acid Dissociation Constant (pKa)

19.81

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

3389-2721 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3389-2721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-2721?
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What is the minimum amount of 3389-2721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-2721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-2721
  • 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 3389-2721 available by request