C716-0259 Screening compound: 2-{[5-(2,5-dimethylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide

C716-0259 Screening compound: 2-{[5-(2,5-dimethylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
C716-0259 Screening compound: 2-{[5-(2,5-dimethylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0259
2-{[5-(2,5-dimethylbenzenesulfonyl)-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

C716-0259

Molecular Formula

C21H21N3O4S2 (C21 H21 N3 O4 S2)

Compound Name

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

IUPAC name

2-{[5-(25-dimethylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CSC(NC1=O)=NC=C1S(c1c(C)ccc(C)c1)(=O)=O)=O

InChI

InChI=1S/C21H21N3O4S2/c1-13-5-8-16(9-6-13)23-19(25)12-29-21-22-11-18(20(26)24-21)30(27,28)17-10-14(2)4-7-15(17)3/h4-11H,12H2,1-3H3,(H,23,25)(H,22,24,26)

InChI Key

QPUCFLXTTHQVMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

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

3.166

Distribution Coefficient, logD

1.525

Water Solubility, LogSw

-3.31

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

19.00

References: we are preparing a list of scientific research reports with C716-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0259?
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What is the minimum amount of C716-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0259
  • 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 C716-0259 available by request