C716-0203 Screening compound: 2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide

C716-0203 Screening compound: 2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide
C716-0203 Screening compound: 2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0203
2-{[5-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide

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

C716-0203

Molecular Formula

C21H20ClN3O5S2 (C21 H20 ClN3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc(cc1)ccc1OC)=O)SC(NC1=O)=NC=C1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C21H20ClN3O5S2/c1-3-17(19(26)24-14-6-8-15(30-2)9-7-14)31-21-23-12-18(20(27)25-21)32(28,29)16-10-4-13(22)5-11-16/h4-12,17H,3H2,1-2H3,(H,24,26)(H,23,25,27)/t17-/m0/s1

InChI Key

KOJALLGDIUBPEQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06403950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.99

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.666

Distribution Coefficient, logD

2.454

Water Solubility, LogSw

-4.24

Polar Surface Area

94.897

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

C716-0203 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C716-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0203?
Check Price and Availability of C716-0203, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C716-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0203
  • 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 C716-0203 available by request