L558-0429 Screening compound: 2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-ethylacetamide

L558-0429 Screening compound: 2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-ethylacetamide
L558-0429 Screening compound: 2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L558-0429
2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-ethylacetamide

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

L558-0429

Molecular Formula

C18H18ClN5O3 (C18 H18 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCNC(CN(C(c1c(N2CC)nc(-c(cc3)ccc3Cl)nc1)=O)C2=O)=O

InChI

InChI=1S/C18H18ClN5O3/c1-3-20-14(25)10-24-17(26)13-9-21-15(11-5-7-12(19)8-6-11)22-16(13)23(4-2)18(24)27/h5-9H,3-4,10H2,1-2H3,(H,20,25)

InChI Key

FWKCNWUSPVYAPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27461720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-3.52

Polar Surface Area

75.736

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

L558-0429 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 L558-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L558-0429?
Check Price and Availability of L558-0429, 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 L558-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L558-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L558-0429
  • 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 L558-0429 available by request