C548-0803 Screening compound: 2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-(2-fluorophenyl)acetamide

C548-0803 Screening compound: 2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-(2-fluorophenyl)acetamide
C548-0803 Screening compound: 2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-0803
2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-(2-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

C548-0803

Molecular Formula

C21H21FN4O6S (C21 H21 FN4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(CC(Nc(cccc1)c1F)=O)S(C(C(N1)=O)=C(C)NC1=O)(=O)=O

InChI

InChI=1S/C21H21FN4O6S/c1-3-32-15-10-8-14(9-11-15)26(12-18(27)24-17-7-5-4-6-16(17)22)33(30,31)19-13(2)23-21(29)25-20(19)28/h4-11H,3,12H2,1-2H3,(H,24,27)(H2,23,25,28,29)

InChI Key

XWGYUGUFAXURJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.49

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

1.689

Distribution Coefficient, logD

-0.780

Water Solubility, LogSw

-2.65

Polar Surface Area

109.902

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C548-0803 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 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 C548-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-0803?
Check Price and Availability of C548-0803, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C548-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-0803
  • 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 C548-0803 available by request