4802-0200 Screening compound: 1-[6-METHOXY-2,2,4-TRIMETHYL-3,4-DIHYDRO-1(2H)-QUINOLINYL]-2-(4H-1,2,4-TRIAZOL-3-YLSULFANYL)-1-ETHANONE

4802-0200 Screening compound: 1-[6-METHOXY-2,2,4-TRIMETHYL-3,4-DIHYDRO-1(2H)-QUINOLINYL]-2-(4H-1,2,4-TRIAZOL-3-YLSULFANYL)-1-ETHANONE
4802-0200 Screening compound: 1-[6-METHOXY-2,2,4-TRIMETHYL-3,4-DIHYDRO-1(2H)-QUINOLINYL]-2-(4H-1,2,4-TRIAZOL-3-YLSULFANYL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0200
1-[6-METHOXY-2,2,4-TRIMETHYL-3,4-DIHYDRO-1(2H)-QUINOLINYL]-2-(4H-1,2,4-TRIAZOL-3-YLSULFANYL)-1-ETHANONE

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

4802-0200

Molecular Formula

C17H22N4O2S (C17 H22 N4 O2 S)

Compound Name

1-[6-METHOXY-2,2,4-TRIMETHYL-3,4-DIHYDRO-1(2H)-QUINOLINYL]-2-(4H-1,2,4-TRIAZOL-3-YLSULFANYL)-1-ETHANONE

IUPAC name

n/a

SMILES

CC(CC1(C)C)c(cc(cc2)OC)c2N1C(CSc1nnc[nH]1)=O

InChI

InChI=1S/C17H22N4O2S/c1-11-8-17(2,3)21(14-6-5-12(23-4)7-13(11)14)15(22)9-24-16-18-10-19-20-16/h5-7,10-11H,8-9H2,1-4H3,(H,18,19,20)/t11-/m1/s1

InChI Key

IXDVNDJIMSMSGT-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03119629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.850

Distribution Coefficient, logD

1.496

Water Solubility, LogSw

-2.60

Polar Surface Area

55.766

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

4802-0200 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4802-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0200?
Check Price and Availability of 4802-0200, 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 4802-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0200
  • 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 4802-0200 available by request