C548-0809 Screening compound: 2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-[(4-methoxyphenyl)methyl]acetamide

C548-0809 Screening compound: 2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-[(4-methoxyphenyl)methyl]acetamide
C548-0809 Screening compound: 2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-0809
2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-[(4-methoxyphenyl)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

C548-0809

Molecular Formula

C23H26N4O7S (C23 H26 N4 O7 S)

Compound Name

2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

2-[N-(4-ethoxyphenyl)6-methyl-24-dioxo-1234-tetrahydropyrimidine-5-sulfonamido]-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

CCOc(cc1)ccc1N(CC(NCc(cc1)ccc1OC)=O)S(C(C(N1)=O)=C(C)NC1=O)(=O)=O

InChI

InChI=1S/C23H26N4O7S/c1-4-34-19-11-7-17(8-12-19)27(35(31,32)21-15(2)25-23(30)26-22(21)29)14-20(28)24-13-16-5-9-18(33-3)10-6-16/h5-12H,4,13-14H2,1-3H3,(H,24,28)(H2,25,26,29,30)

InChI Key

IRUJHPVXBNRRGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.469

Distribution Coefficient, logD

-1.000

Water Solubility, LogSw

-2.56

Polar Surface Area

119.465

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C548-0809 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C548-0809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-0809?
Check Price and Availability of C548-0809, 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 C548-0809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-0809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-0809
  • 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 C548-0809 available by request