C716-0061 Screening compound: 2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide

C716-0061 Screening compound: 2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
C716-0061 Screening compound: 2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0061
2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide

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

C716-0061

Molecular Formula

C20H19N3O4S2 (C20 H19 N3 O4 S2)

Compound Name

2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide

IUPAC name

2-{[5-(4-methylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CSC(NC1=O)=NC=C1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C20H19N3O4S2/c1-13-3-7-15(8-4-13)22-18(24)12-28-20-21-11-17(19(25)23-20)29(26,27)16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3,(H,22,24)(H,21,23,25)

InChI Key

JQKHMWSUMCRDSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

1.224

Water Solubility, LogSw

-3.50

Polar Surface Area

87.140

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C716-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0061?
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What is the minimum amount of C716-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0061
  • 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 C716-0061 available by request