L559-0729 Screening compound: 2-{[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]methyl}benzonitrile

L559-0729 Screening compound: 2-{[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]methyl}benzonitrile
L559-0729 Screening compound: 2-{[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L559-0729
2-{[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]methyl}benzonitrile

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

L559-0729

Molecular Formula

C22H16ClN5O2 (C22 H16 ClN5 O2)

Compound Name

2-{[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]methyl}benzonitrile

IUPAC name

2-{[7-(4-chlorophenyl)-1-ethyl-24-dioxo-1H2H3H4H-[13]diazino[45-d]pyrimidin-3-yl]methyl}benzonitrile

SMILES

CCN(c(nc(-c(cc1)ccc1Cl)nc1)c1C(N1Cc(cccc2)c2C#N)=O)C1=O

InChI

InChI=1S/C22H16ClN5O2/c1-2-27-20-18(12-25-19(26-20)14-7-9-17(23)10-8-14)21(29)28(22(27)30)13-16-6-4-3-5-15(16)11-24/h3-10,12H,2,13H2,1H3

InChI Key

AZJRQXKDPYBKFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27462101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.83

Polar Surface Area

68.424

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L559-0729 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L559-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L559-0729?
Check Price and Availability of L559-0729, 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 L559-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L559-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L559-0729
  • 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 L559-0729 available by request