8498-5094 Screening compound: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one

8498-5094 Screening compound: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one
8498-5094 Screening compound: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8498-5094
2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-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

8498-5094

Molecular Formula

C18H20N4O3 (C18 H20 N4 O3)

Compound Name

2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-5678-tetrahydroquinazolin-5-one

SMILES

Cc1nc(N(CC2)CCN2C(c2ccco2)=O)nc(CCC2)c1C2=O

InChI

InChI=1S/C18H20N4O3/c1-12-16-13(4-2-5-14(16)23)20-18(19-12)22-9-7-21(8-10-22)17(24)15-6-3-11-25-15/h3,6,11H,2,4-5,7-10H2,1H3

InChI Key

QQPIXVNOMZPUJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07185842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.005

Distribution Coefficient, logD

2.005

Water Solubility, LogSw

-2.15

Polar Surface Area

61.470

Acid Dissociation Constant (pKa)

18.70

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8498-5094 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Human Receptors Annotated Library (5376 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 8498-5094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8498-5094?
Check Price and Availability of 8498-5094, 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 8498-5094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8498-5094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8498-5094
  • 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 8498-5094 available by request