L559-0552 Screening compound: 1-methyl-3-[(pyridin-2-yl)methyl]-7-(thiophen-2-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

L559-0552 Screening compound: 1-methyl-3-[(pyridin-2-yl)methyl]-7-(thiophen-2-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
L559-0552 Screening compound: 1-methyl-3-[(pyridin-2-yl)methyl]-7-(thiophen-2-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L559-0552
1-methyl-3-[(pyridin-2-yl)methyl]-7-(thiophen-2-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

L559-0552

Molecular Formula

C17H13N5O2S (C17 H13 N5 O2 S)

Compound Name

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

IUPAC name

1-methyl-3-[(pyridin-2-yl)methyl]-7-(thiophen-2-yl)-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CN(c(nc(-c1cccs1)nc1)c1C(N1Cc2ncccc2)=O)C1=O

InChI

InChI=1S/C17H13N5O2S/c1-21-15-12(9-19-14(20-15)13-6-4-8-25-13)16(23)22(17(21)24)10-11-5-2-3-7-18-11/h2-9H,10H2,1H3

InChI Key

XRHJHVYYXCURIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27462035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.219

Distribution Coefficient, logD

2.219

Water Solubility, LogSw

-2.70

Polar Surface Area

61.970

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

L559-0552 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L559-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L559-0552?
Check Price and Availability of L559-0552, 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 L559-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L559-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L559-0552
  • 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 L559-0552 available by request