C548-0437 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[N-(4-methoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide

C548-0437 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[N-(4-methoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide
C548-0437 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[N-(4-methoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-0437
N-(3-chloro-4-methoxyphenyl)-2-[N-(4-methoxyphenyl)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

C548-0437

Molecular Formula

C21H21ClN4O7S (C21 H21 ClN4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1=O)=O)=C1S(N(CC(Nc(cc1)cc(Cl)c1OC)=O)c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C21H21ClN4O7S/c1-12-19(20(28)25-21(29)23-12)34(30,31)26(14-5-7-15(32-2)8-6-14)11-18(27)24-13-4-9-17(33-3)16(22)10-13/h4-10H,11H2,1-3H3,(H,24,27)(H2,23,25,28,29)

InChI Key

MRAOKEGTESFDLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.94

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

-0.436

Water Solubility, LogSw

-3.13

Polar Surface Area

118.650

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C548-0437 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 C548-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-0437?
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What is the minimum amount of C548-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-0437
  • 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 C548-0437 available by request