C653-0503 Screening compound: methyl 6-[(4-chlorobenzenesulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C653-0503 Screening compound: methyl 6-[(4-chlorobenzenesulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C653-0503 Screening compound: methyl 6-[(4-chlorobenzenesulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C653-0503
methyl 6-[(4-chlorobenzenesulfonyl)methyl]-4-(4-hydroxyphenyl)-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

C653-0503

Molecular Formula

C19H17ClN2O6S (C19 H17 ClN2 O6 S)

Compound Name

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

IUPAC name

methyl 6-[(4-chlorobenzenesulfonyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

COC(C(C(c(cc1)ccc1O)N1)=C(CS(c(cc2)ccc2Cl)(=O)=O)NC1=O)=O

InChI

InChI=1S/C19H17ClN2O6S/c1-28-18(24)16-15(10-29(26,27)14-8-4-12(20)5-9-14)21-19(25)22-17(16)11-2-6-13(23)7-3-11/h2-9,17,23H,10H2,1H3,(H2,21,22,25)/t17-/m1/s1

InChI Key

XMUZTWFKYDHEIV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD08141138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.861

Distribution Coefficient, logD

1.435

Water Solubility, LogSw

-2.74

Polar Surface Area

103.854

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-6.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

C653-0503 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C653-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C653-0503?
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What is the minimum amount of C653-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C653-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C653-0503
  • 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 C653-0503 available by request