C653-0137 Screening compound: ethyl 6-[(3,4-dimethylbenzenesulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C653-0137 Screening compound: ethyl 6-[(3,4-dimethylbenzenesulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C653-0137 Screening compound: ethyl 6-[(3,4-dimethylbenzenesulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C653-0137
ethyl 6-[(3,4-dimethylbenzenesulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

C653-0137

Molecular Formula

C23H26N2O5S (C23 H26 N2 O5 S)

Compound Name

ethyl 6-[(3,4-dimethylbenzenesulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-[(34-dimethylbenzenesulfonyl)methyl]-4-(4-methylphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccc(C)cc1)N1)=C(CS(c2cc(C)c(C)cc2)(=O)=O)NC1=O)=O

InChI

InChI=1S/C23H26N2O5S/c1-5-30-22(26)20-19(13-31(28,29)18-11-8-15(3)16(4)12-18)24-23(27)25-21(20)17-9-6-14(2)7-10-17/h6-12,21H,5,13H2,1-4H3,(H2,24,25,27)/t21-/m1/s1

InChI Key

DTLVNXGQWHXDRD-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD05899922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.711

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-3.75

Polar Surface Area

85.817

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-6.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

C653-0137 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C653-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C653-0137?
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What is the minimum amount of C653-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C653-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C653-0137
  • 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 C653-0137 available by request