L559-0333 Screening compound: 3-[(3-methoxyphenyl)methyl]-1-methyl-7-(pyridin-4-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

L559-0333 Screening compound: 3-[(3-methoxyphenyl)methyl]-1-methyl-7-(pyridin-4-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
L559-0333 Screening compound: 3-[(3-methoxyphenyl)methyl]-1-methyl-7-(pyridin-4-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L559-0333
3-[(3-methoxyphenyl)methyl]-1-methyl-7-(pyridin-4-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

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

L559-0333

Molecular Formula

C20H17N5O3 (C20 H17 N5 O3)

Compound Name

3-[(3-methoxyphenyl)methyl]-1-methyl-7-(pyridin-4-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

3-[(3-methoxyphenyl)methyl]-1-methyl-7-(pyridin-4-yl)-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CN(c(nc(-c1ccncc1)nc1)c1C(N1Cc2cc(OC)ccc2)=O)C1=O

InChI

InChI=1S/C20H17N5O3/c1-24-18-16(11-22-17(23-18)14-6-8-21-9-7-14)19(26)25(20(24)27)12-13-4-3-5-15(10-13)28-2/h3-11H,12H2,1-2H3

InChI Key

DJEQZVPWHVENIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27462023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.591

Distribution Coefficient, logD

2.590

Water Solubility, LogSw

-2.58

Polar Surface Area

68.380

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

L559-0333 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with L559-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L559-0333?
Check Price and Availability of L559-0333, 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 L559-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L559-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L559-0333
  • 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 L559-0333 available by request