C653-0059 Screening compound: ethyl 6-[(4-chlorobenzenesulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C653-0059 Screening compound: ethyl 6-[(4-chlorobenzenesulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C653-0059 Screening compound: ethyl 6-[(4-chlorobenzenesulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C653-0059
ethyl 6-[(4-chlorobenzenesulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-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

C653-0059

Molecular Formula

C21H21ClN2O5S2 (C21 H21 ClN2 O5 S2)

Compound Name

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

IUPAC name

ethyl 6-[(4-chlorobenzenesulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1SC)N1)=C(CS(c(cc2)ccc2Cl)(=O)=O)NC1=O)=O

InChI

InChI=1S/C21H21ClN2O5S2/c1-3-29-20(25)18-17(12-31(27,28)16-10-6-14(22)7-11-16)23-21(26)24-19(18)13-4-8-15(30-2)9-5-13/h4-11,19H,3,12H2,1-2H3,(H2,23,24,26)/t19-/m1/s1

InChI Key

RTNJHFFACZMDCW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14779536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-4.26

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

23.80

C653-0059 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C653-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C653-0059?
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What is the minimum amount of C653-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C653-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C653-0059
  • 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 C653-0059 available by request