C548-1279 Screening compound: N-(2-chloro-4-methylphenyl)-2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide

C548-1279 Screening compound: N-(2-chloro-4-methylphenyl)-2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide
C548-1279 Screening compound: N-(2-chloro-4-methylphenyl)-2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-1279
N-(2-chloro-4-methylphenyl)-2-[N-(3,5-dimethylphenyl)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

C548-1279

Molecular Formula

C22H23ClN4O5S (C22 H23 ClN4 O5 S)

Compound Name

N-(2-chloro-4-methylphenyl)-2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide

IUPAC name

N-(2-chloro-4-methylphenyl)-2-[N-(35-dimethylphenyl)6-methyl-24-dioxo-1234-tetrahydropyrimidine-5-sulfonamido]acetamide

SMILES

Cc(cc1)cc(Cl)c1NC(CN(c1cc(C)cc(C)c1)S(C(C(N1)=O)=C(C)NC1=O)(=O)=O)=O

InChI

InChI=1S/C22H23ClN4O5S/c1-12-5-6-18(17(23)10-12)25-19(28)11-27(16-8-13(2)7-14(3)9-16)33(31,32)20-15(4)24-22(30)26-21(20)29/h5-10H,11H2,1-4H3,(H,25,28)(H2,24,26,29,30)

InChI Key

MPLGNKPVFKQFMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

0.757

Water Solubility, LogSw

-3.49

Polar Surface Area

102.778

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C548-1279 in Drug Discovery

Included in Screening Libraries

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 C548-1279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-1279?
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What is the minimum amount of C548-1279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-1279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-1279
  • 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 C548-1279 available by request