C548-1214 Screening compound: N-[(2-chlorophenyl)methyl]-2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide

C548-1214 Screening compound: N-[(2-chlorophenyl)methyl]-2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide
C548-1214 Screening compound: N-[(2-chlorophenyl)methyl]-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 C548-1214
N-[(2-chlorophenyl)methyl]-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

C548-1214

Molecular Formula

C22H23ClN4O5S (C22 H23 ClN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(CC(NCc(cccc2)c2Cl)=O)S(C(C(N2)=O)=C(C)NC2=O)(=O)=O)cc(C)c1

InChI

InChI=1S/C22H23ClN4O5S/c1-13-8-14(2)10-17(9-13)27(12-19(28)24-11-16-6-4-5-7-18(16)23)33(31,32)20-15(3)25-22(30)26-21(20)29/h4-10H,11-12H2,1-3H3,(H,24,28)(H2,25,26,29,30)

InChI Key

FQRQCAYOTNWGPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769347

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

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.862

Distribution Coefficient, logD

0.393

Water Solubility, LogSw

-3.51

Polar Surface Area

104.798

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C548-1214 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C548-1214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-1214?
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What is the minimum amount of C548-1214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-1214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-1214
  • 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 C548-1214 available by request