4677-0002 Screening compound: 4-(ethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline

4677-0002 Screening compound: 4-(ethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline
4677-0002 Screening compound: 4-(ethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4677-0002
4-(ethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline

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

4677-0002

Molecular Formula

C16H18N2S (C16 H18 N2 S)

Compound Name

4-(ethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline

IUPAC name

4-(ethylsulfanyl)-2-phenyl-5678-tetrahydroquinazoline

SMILES

CCSc1nc(-c2ccccc2)nc2c1CCCC2

InChI

InChI=1S/C16H18N2S/c1-2-19-16-13-10-6-7-11-14(13)17-15(18-16)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3

InChI Key

UJOFMOBGBIMVIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03131229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.360

Distribution Coefficient, logD

5.352

Water Solubility, LogSw

-5.42

Polar Surface Area

20.091

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4677-0002 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4677-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4677-0002?
Check Price and Availability of 4677-0002, 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 4677-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4677-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4677-0002
  • 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 4677-0002 available by request