G605-0163 Screening compound: ethyl 2-(2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

G605-0163 Screening compound: ethyl 2-(2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
G605-0163 Screening compound: ethyl 2-(2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G605-0163
ethyl 2-(2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

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

G605-0163

Molecular Formula

C22H20ClN3O6S2 (C22 H20 ClN3 O6 S2)

Compound Name

ethyl 2-(2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSC(NC1=O)=NC=C1S(c1cc(Cl)c(C)cc1)(=O)=O)=O)=O

InChI

InChI=1S/C22H20ClN3O6S2/c1-3-32-21(29)15-6-4-5-7-17(15)25-19(27)12-33-22-24-11-18(20(28)26-22)34(30,31)14-9-8-13(2)16(23)10-14/h4-11H,3,12H2,1-2H3,(H,25,27)(H,24,26,28)

InChI Key

NGLZRJMYTAAJHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

1.665

Water Solubility, LogSw

-3.68

Polar Surface Area

107.196

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G605-0163 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G605-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G605-0163?
Check Price and Availability of G605-0163, 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 G605-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G605-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G605-0163
  • 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 G605-0163 available by request