Y020-0831 Screening compound: 2-(benzylsulfanyl)-4-phenyl-5,6,7,8-tetrahydroquinazoline

Y020-0831 Screening compound: 2-(benzylsulfanyl)-4-phenyl-5,6,7,8-tetrahydroquinazoline
Y020-0831 Screening compound: 2-(benzylsulfanyl)-4-phenyl-5,6,7,8-tetrahydroquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0831
2-(benzylsulfanyl)-4-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

Y020-0831

Molecular Formula

C21H20N2S (C21 H20 N2 S)

Compound Name

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

IUPAC name

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

SMILES

C(c1ccccc1)Sc1nc(-c2ccccc2)c(CCCC2)c2n1

InChI

InChI=1S/C21H20N2S/c1-3-9-16(10-4-1)15-24-21-22-19-14-8-7-13-18(19)20(23-21)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2

InChI Key

BRODCJGAPRZRLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03903926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.494

Distribution Coefficient, logD

5.494

Water Solubility, LogSw

-5.90

Polar Surface Area

19.180

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y020-0831 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y020-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0831?
Check Price and Availability of Y020-0831, 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 Y020-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0831
  • 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 Y020-0831 available by request