8341-0102 Screening compound: 2-{[(oxolan-2-yl)methyl]amino}-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one

8341-0102 Screening compound: 2-{[(oxolan-2-yl)methyl]amino}-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one
8341-0102 Screening compound: 2-{[(oxolan-2-yl)methyl]amino}-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8341-0102
2-{[(oxolan-2-yl)methyl]amino}-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-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

8341-0102

Molecular Formula

C17H19N3O2S (C17 H19 N3 O2 S)

Compound Name

2-{[(oxolan-2-yl)methyl]amino}-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-{[(oxolan-2-yl)methyl]amino}-7-(thiophen-2-yl)-5678-tetrahydroquinazolin-5-one

SMILES

O=C(CC(C1)c2cccs2)c2c1nc(NCC1OCCC1)nc2

InChI

InChI=1S/C17H19N3O2S/c21-15-8-11(16-4-2-6-23-16)7-14-13(15)10-19-17(20-14)18-9-12-3-1-5-22-12/h2,4,6,10-12H,1,3,5,7-9H2,(H,18,19,20)

InChI Key

OOOCFQVGIYNZOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05706697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.268

Distribution Coefficient, logD

2.268

Water Solubility, LogSw

-2.85

Polar Surface Area

54.771

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.10

8341-0102 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8341-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8341-0102?
Check Price and Availability of 8341-0102, 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 8341-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8341-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8341-0102
  • 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 8341-0102 available by request