L558-0442 Screening compound: N-benzyl-2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide

L558-0442 Screening compound: N-benzyl-2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide
L558-0442 Screening compound: N-benzyl-2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L558-0442
N-benzyl-2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]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

L558-0442

Molecular Formula

C23H20ClN5O3 (C23 H20 ClN5 O3)

Compound Name

N-benzyl-2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide

IUPAC name

N-benzyl-2-[7-(4-chlorophenyl)-1-ethyl-24-dioxo-1H2H3H4H-[13]diazino[45-d]pyrimidin-3-yl]acetamide

SMILES

CCN(c(nc(-c(cc1)ccc1Cl)nc1)c1C(N1CC(NCc2ccccc2)=O)=O)C1=O

InChI

InChI=1S/C23H20ClN5O3/c1-2-28-21-18(13-26-20(27-21)16-8-10-17(24)11-9-16)22(31)29(23(28)32)14-19(30)25-12-15-6-4-3-5-7-15/h3-11,13H,2,12,14H2,1H3,(H,25,30)

InChI Key

PLMCTBDDTYHWKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27461723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.924

Distribution Coefficient, logD

3.924

Water Solubility, LogSw

-4.43

Polar Surface Area

75.839

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

L558-0442 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L558-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L558-0442?
Check Price and Availability of L558-0442, 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 L558-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L558-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L558-0442
  • 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 L558-0442 available by request