C548-0323 Screening compound: N-[(2-chlorophenyl)methyl]-2-[N-(4-methoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide

C548-0323 Screening compound: N-[(2-chlorophenyl)methyl]-2-[N-(4-methoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide
C548-0323 Screening compound: N-[(2-chlorophenyl)methyl]-2-[N-(4-methoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-0323
N-[(2-chlorophenyl)methyl]-2-[N-(4-methoxyphenyl)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

C548-0323

Molecular Formula

C21H21ClN4O6S (C21 H21 ClN4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1=O)=O)=C1S(N(CC(NCc(cccc1)c1Cl)=O)c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C21H21ClN4O6S/c1-13-19(20(28)25-21(29)24-13)33(30,31)26(15-7-9-16(32-2)10-8-15)12-18(27)23-11-14-5-3-4-6-17(14)22/h3-10H,11-12H2,1-2H3,(H,23,27)(H2,24,25,28,29)

InChI Key

XHFLCGNJXHHAKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.882

Distribution Coefficient, logD

-0.587

Water Solubility, LogSw

-2.79

Polar Surface Area

112.342

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C548-0323 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C548-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-0323?
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What is the minimum amount of C548-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-0323
  • 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 C548-0323 available by request