C653-0029 Screening compound: ethyl 6-[(benzenesulfonyl)methyl]-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C653-0029 Screening compound: ethyl 6-[(benzenesulfonyl)methyl]-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C653-0029 Screening compound: ethyl 6-[(benzenesulfonyl)methyl]-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C653-0029
ethyl 6-[(benzenesulfonyl)methyl]-4-(4-hydroxy-3,5-dimethoxyphenyl)-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

C653-0029

Molecular Formula

C22H24N2O8S (C22 H24 N2 O8 S)

Compound Name

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

IUPAC name

ethyl 6-[(benzenesulfonyl)methyl]-4-(4-hydroxy-35-dimethoxyphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1OC)cc(OC)c1O)N1)=C(CS(c2ccccc2)(=O)=O)NC1=O)=O

InChI

InChI=1S/C22H24N2O8S/c1-4-32-21(26)18-15(12-33(28,29)14-8-6-5-7-9-14)23-22(27)24-19(18)13-10-16(30-2)20(25)17(11-13)31-3/h5-11,19,25H,4,12H2,1-3H3,(H2,23,24,27)/t19-/m1/s1

InChI Key

HKUOOEQCNZLFAW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14779529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.273

Distribution Coefficient, logD

0.848

Water Solubility, LogSw

-2.34

Polar Surface Area

116.557

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-6.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C653-0029 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C653-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C653-0029?
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What is the minimum amount of C653-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C653-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C653-0029
  • 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 C653-0029 available by request