C548-0010 Screening compound: N-(4-bromo-3-methylphenyl)-2-[N-(4-methylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide

C548-0010 Screening compound: N-(4-bromo-3-methylphenyl)-2-[N-(4-methylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide
C548-0010 Screening compound: N-(4-bromo-3-methylphenyl)-2-[N-(4-methylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-0010
N-(4-bromo-3-methylphenyl)-2-[N-(4-methylphenyl)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

C548-0010

Molecular Formula

C21H21BrN4O5S (C21 H21 BrN4 O5 S)

Compound Name

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

IUPAC name

N-(4-bromo-3-methylphenyl)-2-[N-(4-methylphenyl)6-methyl-24-dioxo-1234-tetrahydropyrimidine-5-sulfonamido]acetamide

SMILES

Cc(cc1)ccc1N(CC(Nc(cc1)cc(C)c1Br)=O)S(C(C(N1)=O)=C(C)NC1=O)(=O)=O

InChI

InChI=1S/C21H21BrN4O5S/c1-12-4-7-16(8-5-12)26(11-18(27)24-15-6-9-17(22)13(2)10-15)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

IYEFTRXXYOYBCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.39

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

3.138

Distribution Coefficient, logD

0.669

Water Solubility, LogSw

-3.30

Polar Surface Area

103.476

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C548-0010 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C548-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-0010?
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What is the minimum amount of C548-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-0010
  • 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 C548-0010 available by request