C716-0014 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide

C716-0014 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
C716-0014 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0014
2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)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

C716-0014

Molecular Formula

C20H19N3O6S2 (C20 H19 N3 O6 S2)

Compound Name

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

IUPAC name

2-{[5-(benzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-(24-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(OC)c1NC(CSC(NC1=O)=NC=C1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C20H19N3O6S2/c1-28-13-8-9-15(16(10-13)29-2)22-18(24)12-30-20-21-11-17(19(25)23-20)31(26,27)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,24)(H,21,23,25)

InChI Key

JICXPJTYOBIHDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05900401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.579

Distribution Coefficient, logD

-0.063

Water Solubility, LogSw

-2.63

Polar Surface Area

101.617

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C716-0014 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C716-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0014?
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What is the minimum amount of C716-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0014
  • 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 C716-0014 available by request