P574-5603 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{2-[(3-ethylphenyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl}acetamide

P574-5603 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{2-[(3-ethylphenyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl}acetamide
P574-5603 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{2-[(3-ethylphenyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P574-5603
N-(2H-1,3-benzodioxol-5-yl)-2-{2-[(3-ethylphenyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-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

P574-5603

Molecular Formula

C22H22N4O4 (C22 H22 N4 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{2-[(3-ethylphenyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{2-[(3-ethylphenyl)amino]-4-methyl-6-oxo-16-dihydropyrimidin-1-yl}acetamide

SMILES

CCc1cccc(NC(N2CC(Nc(cc3)cc4c3OCO4)=O)=NC(C)=CC2=O)c1

InChI

InChI=1S/C22H22N4O4/c1-3-15-5-4-6-16(10-15)25-22-23-14(2)9-21(28)26(22)12-20(27)24-17-7-8-18-19(11-17)30-13-29-18/h4-11H,3,12-13H2,1-2H3,(H,23,25)(H,24,27)

InChI Key

NHHUBDRYNOYMLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.528

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-3.57

Polar Surface Area

74.669

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P574-5603 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 P574-5603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P574-5603?
Check Price and Availability of P574-5603, 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 P574-5603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P574-5603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P574-5603
  • 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 P574-5603 available by request