8561-05301 Screening compound: N-{1,8-dioxo-1H,2H,3H,4H,8H,9H,9aH-pyrimido[1,6-a]pyrazin-6-yl}-2-methoxybenzamide

8561-05301 Screening compound: N-{1,8-dioxo-1H,2H,3H,4H,8H,9H,9aH-pyrimido[1,6-a]pyrazin-6-yl}-2-methoxybenzamide
8561-05301 Screening compound: N-{1,8-dioxo-1H,2H,3H,4H,8H,9H,9aH-pyrimido[1,6-a]pyrazin-6-yl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8561-05301
N-{1,8-dioxo-1H,2H,3H,4H,8H,9H,9aH-pyrimido[1,6-a]pyrazin-6-yl}-2-methoxybenzamide

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

8561-05301

Molecular Formula

C15H16N4O4 (C15 H16 N4 O4)

Compound Name

N-{1,8-dioxo-1H,2H,3H,4H,8H,9H,9aH-pyrimido[1,6-a]pyrazin-6-yl}-2-methoxybenzamide

IUPAC name

N-{18-dioxo-1H2H3H4H8H9H9aH-pyrimido[16-a]pyrazin-6-yl}-2-methoxybenzamide

SMILES

COc(cccc1)c1C(NC(N(CCN1)C(C2)C1=O)=NC2=O)=O

InChI

InChI=1S/C15H16N4O4/c1-23-11-5-3-2-4-9(11)13(21)18-15-17-12(20)8-10-14(22)16-6-7-19(10)15/h2-5,10H,6-8H2,1H3,(H,16,22)(H,17,18,20,21)/t10-/m0/s1

InChI Key

WJHPDQVPFOPZOM-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04178463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.502

Distribution Coefficient, logD

-1.159

Water Solubility, LogSw

-2.16

Polar Surface Area

82.166

Acid Dissociation Constant (pKa)

6.85

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8561-05301 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8561-05301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8561-05301?
Check Price and Availability of 8561-05301, 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 8561-05301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8561-05301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8561-05301
  • 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 8561-05301 available by request