C653-0428 Screening compound: methyl 6-[(benzenesulfonyl)methyl]-4-(3-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C653-0428 Screening compound: methyl 6-[(benzenesulfonyl)methyl]-4-(3-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C653-0428 Screening compound: methyl 6-[(benzenesulfonyl)methyl]-4-(3-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C653-0428
methyl 6-[(benzenesulfonyl)methyl]-4-(3-chlorophenyl)-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

C653-0428

Molecular Formula

C19H17ClN2O5S (C19 H17 ClN2 O5 S)

Compound Name

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

IUPAC name

methyl 6-[(benzenesulfonyl)methyl]-4-(3-chlorophenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

COC(C(C(c1cccc(Cl)c1)N1)=C(CS(c2ccccc2)(=O)=O)NC1=O)=O

InChI

InChI=1S/C19H17ClN2O5S/c1-27-18(23)16-15(11-28(25,26)14-8-3-2-4-9-14)21-19(24)22-17(16)12-6-5-7-13(20)10-12/h2-10,17H,11H2,1H3,(H2,21,22,24)/t17-/m0/s1

InChI Key

ASLJCBDYYGBMCF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14779606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.87

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

2.402

Distribution Coefficient, logD

1.977

Water Solubility, LogSw

-3.17

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

C653-0428 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C653-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C653-0428?
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What is the minimum amount of C653-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C653-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C653-0428
  • 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 C653-0428 available by request