C653-0284 Screening compound: methyl 6-[(benzenesulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C653-0284 Screening compound: methyl 6-[(benzenesulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C653-0284 Screening compound: methyl 6-[(benzenesulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C653-0284
methyl 6-[(benzenesulfonyl)methyl]-2-oxo-4-phenyl-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

C653-0284

Molecular Formula

C19H18N2O5S (C19 H18 N2 O5 S)

Compound Name

methyl 6-[(benzenesulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 6-[(benzenesulfonyl)methyl]-2-oxo-4-phenyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

COC(C(C(c1ccccc1)N1)=C(CS(c2ccccc2)(=O)=O)NC1=O)=O

InChI

InChI=1S/C19H18N2O5S/c1-26-18(22)16-15(12-27(24,25)14-10-6-3-7-11-14)20-19(23)21-17(16)13-8-4-2-5-9-13/h2-11,17H,12H2,1H3,(H2,20,21,23)/t17-/m1/s1

InChI Key

ZHDVEFAUANKCPK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14779583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.705

Distribution Coefficient, logD

1.279

Water Solubility, LogSw

-2.29

Polar Surface Area

86.237

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-6.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

C653-0284 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Antibacterial Compounds Library (13827 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C653-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C653-0284?
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What is the minimum amount of C653-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C653-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C653-0284
  • 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 C653-0284 available by request