L558-0178 Screening compound: 2-[7-(4-methoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]acetamide

L558-0178 Screening compound: 2-[7-(4-methoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]acetamide
L558-0178 Screening compound: 2-[7-(4-methoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L558-0178
2-[7-(4-methoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]acetamide

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

L558-0178

Molecular Formula

C21H23N5O5 (C21 H23 N5 O5)

Compound Name

2-[7-(4-methoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-[7-(4-methoxyphenyl)-1-methyl-24-dioxo-1H2H3H4H-[13]diazino[45-d]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CN(c(nc(-c(cc1)ccc1OC)nc1)c1C(N1CC(NCC2OCCC2)=O)=O)C1=O

InChI

InChI=1S/C21H23N5O5/c1-25-19-16(11-23-18(24-19)13-5-7-14(30-2)8-6-13)20(28)26(21(25)29)12-17(27)22-10-15-4-3-9-31-15/h5-8,11,15H,3-4,9-10,12H2,1-2H3,(H,22,27)/t15-/m1/s1

InChI Key

WYGMMXCQXWVMIT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27461649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.206

Distribution Coefficient, logD

1.206

Water Solubility, LogSw

-2.16

Polar Surface Area

92.078

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

L558-0178 in Drug Discovery

Included in Screening Libraries

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:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L558-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L558-0178?
Check Price and Availability of L558-0178, 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 L558-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L558-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L558-0178
  • 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 L558-0178 available by request