C716-0028 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

C716-0028 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
C716-0028 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0028
2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]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

C716-0028

Molecular Formula

C19H14F3N3O4S2 (C19 H14 F3 N3 O4 S2)

Compound Name

2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[5-(benzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSC(NC1=O)=NC=C1S(c1ccccc1)(=O)=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C19H14F3N3O4S2/c20-19(21,22)12-5-4-6-13(9-12)24-16(26)11-30-18-23-10-15(17(27)25-18)31(28,29)14-7-2-1-3-8-14/h1-10H,11H2,(H,24,26)(H,23,25,27)

InChI Key

IAYYLYJZVZZRHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.47

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

2.877

Distribution Coefficient, logD

1.235

Water Solubility, LogSw

-3.57

Polar Surface Area

87.140

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with C716-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0028?
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What is the minimum amount of C716-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0028
  • 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 C716-0028 available by request