8498-5078 Screening compound: 4-methyl-2-[4-(pyridin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-one

8498-5078 Screening compound: 4-methyl-2-[4-(pyridin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-one
8498-5078 Screening compound: 4-methyl-2-[4-(pyridin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8498-5078
4-methyl-2-[4-(pyridin-2-yl)piperazin-1-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

8498-5078

Molecular Formula

C18H21N5O (C18 H21 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N(CC2)CCN2c2ncccc2)nc(CCC2)c1C2=O

InChI

InChI=1S/C18H21N5O/c1-13-17-14(5-4-6-15(17)24)21-18(20-13)23-11-9-22(10-12-23)16-7-2-3-8-19-16/h2-3,7-8H,4-6,9-12H2,1H3

InChI Key

KSRBNBSBLOKDKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07185823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.100

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.24

Polar Surface Area

48.207

Acid Dissociation Constant (pKa)

18.70

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8498-5078 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8498-5078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8498-5078?
Check Price and Availability of 8498-5078, 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 8498-5078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8498-5078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8498-5078
  • 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 8498-5078 available by request