C716-0187 Screening compound: 2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide

C716-0187 Screening compound: 2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
C716-0187 Screening compound: 2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0187
2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)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

C716-0187

Molecular Formula

C19H16ClN3O4S3 (C19 H16 ClN3 O4 S3)

Compound Name

2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CSc1cccc(NC(CSC(NC2=O)=NC=C2S(c(cc2)ccc2Cl)(=O)=O)=O)c1

InChI

InChI=1S/C19H16ClN3O4S3/c1-28-14-4-2-3-13(9-14)22-17(24)11-29-19-21-10-16(18(25)23-19)30(26,27)15-7-5-12(20)6-8-15/h2-10H,11H2,1H3,(H,22,24)(H,21,23,25)

InChI Key

OYECVUZKXXRKJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

1.432

Water Solubility, LogSw

-3.67

Polar Surface Area

87.140

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with C716-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0187?
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What is the minimum amount of C716-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0187
  • 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 C716-0187 available by request