G605-0145 Screening compound: 2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

G605-0145 Screening compound: 2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
G605-0145 Screening compound: 2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G605-0145
2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

G605-0145

Molecular Formula

C21H18ClN3O6S2 (C21 H18 ClN3 O6 S2)

Compound Name

2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

Cc(ccc(S(C(C(N1)=O)=CN=C1SCC(Nc(cc1)cc2c1OCCO2)=O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C21H18ClN3O6S2/c1-12-2-4-14(9-15(12)22)33(28,29)18-10-23-21(25-20(18)27)32-11-19(26)24-13-3-5-16-17(8-13)31-7-6-30-16/h2-5,8-10H,6-7,11H2,1H3,(H,24,26)(H,23,25,27)

InChI Key

CZMRQXBKRFDNOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.98

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.011

Distribution Coefficient, logD

0.370

Water Solubility, LogSw

-2.98

Polar Surface Area

102.963

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G605-0145 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G605-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G605-0145?
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What is the minimum amount of G605-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G605-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G605-0145
  • 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 G605-0145 available by request