L559-0829 Screening compound: 3-[(3-fluorophenyl)methyl]-1-methyl-7-(4-methylphenyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

L559-0829 Screening compound: 3-[(3-fluorophenyl)methyl]-1-methyl-7-(4-methylphenyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
L559-0829 Screening compound: 3-[(3-fluorophenyl)methyl]-1-methyl-7-(4-methylphenyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L559-0829
3-[(3-fluorophenyl)methyl]-1-methyl-7-(4-methylphenyl)-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

L559-0829

Molecular Formula

C21H17FN4O2 (C21 H17 FN4 O2)

Compound Name

3-[(3-fluorophenyl)methyl]-1-methyl-7-(4-methylphenyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

3-[(3-fluorophenyl)methyl]-1-methyl-7-(4-methylphenyl)-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

Cc(cc1)ccc1-c(nc1)nc(N(C)C(N2Cc3cccc(F)c3)=O)c1C2=O

InChI

InChI=1S/C21H17FN4O2/c1-13-6-8-15(9-7-13)18-23-11-17-19(24-18)25(2)21(28)26(20(17)27)12-14-4-3-5-16(22)10-14/h3-11H,12H2,1-2H3

InChI Key

QXMAWLLTLBBIMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27462146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.27

Polar Surface Area

51.408

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L559-0829 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L559-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L559-0829?
Check Price and Availability of L559-0829, 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 L559-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L559-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L559-0829
  • 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 L559-0829 available by request