D365-0141 Screening compound: 2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydroquinazolin-4-one

D365-0141 Screening compound: 2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydroquinazolin-4-one
D365-0141 Screening compound: 2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D365-0141
2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydroquinazolin-4-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

D365-0141

Molecular Formula

C16H18N2OS (C16 H18 N2 OS)

Compound Name

2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydroquinazolin-4-one

IUPAC name

2-[(2-phenylethyl)sulfanyl]-345678-hexahydroquinazolin-4-one

SMILES

O=C1NC(SCCc2ccccc2)=NC2=C1CCCC2

InChI

InChI=1S/C16H18N2OS/c19-15-13-8-4-5-9-14(13)17-16(18-15)20-11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,17,18,19)

InChI Key

BZCNGAJGJUBMCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.290

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.52

Polar Surface Area

34.472

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D365-0141 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D365-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D365-0141?
Check Price and Availability of D365-0141, 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 D365-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D365-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D365-0141
  • 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 D365-0141 available by request