C548-1364 Screening compound: 2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-(4-fluorophenyl)acetamide

C548-1364 Screening compound: 2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-(4-fluorophenyl)acetamide
C548-1364 Screening compound: 2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-1364
2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-(4-fluorophenyl)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

C548-1364

Molecular Formula

C21H21FN4O5S (C21 H21 FN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(CC(Nc(cc2)ccc2F)=O)S(C(C(N2)=O)=C(C)NC2=O)(=O)=O)cc(C)c1

InChI

InChI=1S/C21H21FN4O5S/c1-12-8-13(2)10-17(9-12)26(11-18(27)24-16-6-4-15(22)5-7-16)32(30,31)19-14(3)23-21(29)25-20(19)28/h4-10H,11H2,1-3H3,(H,24,27)(H2,23,25,28,29)

InChI Key

PZSVNOALBMWLTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.49

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

2.532

Distribution Coefficient, logD

0.062

Water Solubility, LogSw

-3.06

Polar Surface Area

103.476

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C548-1364 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 C548-1364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-1364?
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What is the minimum amount of C548-1364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-1364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-1364
  • 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 C548-1364 available by request