C653-0501 Screening compound: methyl 4-(4-hydroxyphenyl)-6-[(4-methylbenzenesulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C653-0501 Screening compound: methyl 4-(4-hydroxyphenyl)-6-[(4-methylbenzenesulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C653-0501 Screening compound: methyl 4-(4-hydroxyphenyl)-6-[(4-methylbenzenesulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C653-0501
methyl 4-(4-hydroxyphenyl)-6-[(4-methylbenzenesulfonyl)methyl]-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

C653-0501

Molecular Formula

C20H20N2O6S (C20 H20 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(CC(NC(NC1c(cc2)ccc2O)=O)=C1C(OC)=O)(=O)=O

InChI

InChI=1S/C20H20N2O6S/c1-12-3-9-15(10-4-12)29(26,27)11-16-17(19(24)28-2)18(22-20(25)21-16)13-5-7-14(23)8-6-13/h3-10,18,23H,11H2,1-2H3,(H2,21,22,25)/t18-/m1/s1

InChI Key

AVPAYQHMWXSARU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD08141404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.45

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

1.690

Distribution Coefficient, logD

1.264

Water Solubility, LogSw

-2.36

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

20.00

C653-0501 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 C653-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C653-0501?
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What is the minimum amount of C653-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C653-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C653-0501
  • 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 C653-0501 available by request