C716-0892 Screening compound: 2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C716-0892 Screening compound: 2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
C716-0892 Screening compound: 2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0892
2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

C716-0892

Molecular Formula

C24H25N3O6S2 (C24 H25 N3 O6 S2)

Compound Name

2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

CC(C)(C)c(cc1)ccc1S(C(C(N1)=O)=CN=C1SCC(Nc(cc1)cc2c1OCCO2)=O)(=O)=O

InChI

InChI=1S/C24H25N3O6S2/c1-24(2,3)15-4-7-17(8-5-15)35(30,31)20-13-25-23(27-22(20)29)34-14-21(28)26-16-6-9-18-19(12-16)33-11-10-32-18/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,28)(H,25,27,29)

InChI Key

LOPKZSNHYQVPQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

1.144

Water Solubility, LogSw

-3.46

Polar Surface Area

102.963

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C716-0892 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C716-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0892?
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What is the minimum amount of C716-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0892
  • 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 C716-0892 available by request