C716-0195 Screening compound: 2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylpropanamide

C716-0195 Screening compound: 2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylpropanamide
C716-0195 Screening compound: 2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0195
2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylpropanamide

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

C716-0195

Molecular Formula

C19H16ClN3O4S2 (C19 H16 ClN3 O4 S2)

Compound Name

2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylpropanamide

IUPAC name

2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-phenylpropanamide

SMILES

CC(C(Nc1ccccc1)=O)SC(NC1=O)=NC=C1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C19H16ClN3O4S2/c1-12(17(24)22-14-5-3-2-4-6-14)28-19-21-11-16(18(25)23-19)29(26,27)15-9-7-13(20)8-10-15/h2-12H,1H3,(H,22,24)(H,21,23,25)/t12-/m0/s1

InChI Key

SVOATBRVTAQRJN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06403647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.94

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

2.975

Distribution Coefficient, logD

1.763

Water Solubility, LogSw

-3.74

Polar Surface Area

87.354

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

C716-0195 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 C716-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0195?
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What is the minimum amount of C716-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0195
  • 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 C716-0195 available by request