8356-0005 Screening compound: 1-{2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-2-phenyl-1,4,5,6,7,8-hexahydroquinazoline-4-thione

8356-0005 Screening compound: 1-{2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-2-phenyl-1,4,5,6,7,8-hexahydroquinazoline-4-thione
8356-0005 Screening compound: 1-{2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-2-phenyl-1,4,5,6,7,8-hexahydroquinazoline-4-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8356-0005
1-{2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-2-phenyl-1,4,5,6,7,8-hexahydroquinazoline-4-thione

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

8356-0005

Molecular Formula

C31H38N2OS (C31 H38 N2 OS)

Compound Name

1-{2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-2-phenyl-1,4,5,6,7,8-hexahydroquinazoline-4-thione

IUPAC name

1-{2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}-2-phenyl-145678-hexahydroquinazoline-4-thione

SMILES

CC(C)C(C1)OCCC1(CCN(C1=C2CCCC1)C(c1ccccc1)=NC2=S)c1ccc(C)cc1

InChI

InChI=1S/C31H38N2OS/c1-22(2)28-21-31(18-20-34-28,25-15-13-23(3)14-16-25)17-19-33-27-12-8-7-11-26(27)30(35)32-29(33)24-9-5-4-6-10-24/h4-6,9-10,13-16,22,28H,7-8,11-12,17-21H2,1-3H3

InChI Key

GVNRAQUIKYFQKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.72

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.632

Distribution Coefficient, logD

7.632

Water Solubility, LogSw

-5.85

Polar Surface Area

20.361

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.40

8356-0005 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • GPCR
  • Kinases

References: we are preparing a list of scientific research reports with 8356-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8356-0005?
Check Price and Availability of 8356-0005, 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 8356-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8356-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8356-0005
  • 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 8356-0005 available by request