C548-0821 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide

C548-0821 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide
C548-0821 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-0821
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]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

C548-0821

Molecular Formula

C23H24N4O8S (C23 H24 N4 O8 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[N-(4-ethoxyphenyl)6-methyl-24-dioxo-1234-tetrahydropyrimidine-5-sulfonamido]acetamide

SMILES

CCOc(cc1)ccc1N(CC(NCc(cc1)cc2c1OCO2)=O)S(C(C(N1)=O)=C(C)NC1=O)(=O)=O

InChI

InChI=1S/C23H24N4O8S/c1-3-33-17-7-5-16(6-8-17)27(36(31,32)21-14(2)25-23(30)26-22(21)29)12-20(28)24-11-15-4-9-18-19(10-15)35-13-34-18/h4-10H,3,11-13H2,1-2H3,(H,24,28)(H2,25,26,29,30)

InChI Key

AUSUMPNSYPEVDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.400

Distribution Coefficient, logD

-1.069

Water Solubility, LogSw

-2.68

Polar Surface Area

129.037

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C548-0821 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C548-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-0821?
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What is the minimum amount of C548-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-0821
  • 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 C548-0821 available by request