G226-0153 Screening compound: ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate

G226-0153 Screening compound: ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate
G226-0153 Screening compound: ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G226-0153
ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate

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

G226-0153

Molecular Formula

C22H24N2O5S2 (C22 H24 N2 O5 S2)

Compound Name

ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate

IUPAC name

ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate

SMILES

CCOC(c(sc1c2cccc1)c2S(N(CC1)CCN1c1cc(OC)ccc1)(=O)=O)=O

InChI

InChI=1S/C22H24N2O5S2/c1-3-29-22(25)20-21(18-9-4-5-10-19(18)30-20)31(26,27)24-13-11-23(12-14-24)16-7-6-8-17(15-16)28-2/h4-10,15H,3,11-14H2,1-2H3

InChI Key

BRMJQTDALUVFFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.195

Distribution Coefficient, logD

4.195

Water Solubility, LogSw

-4.22

Polar Surface Area

64.254

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G226-0153 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G226-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G226-0153?
Check Price and Availability of G226-0153, 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 G226-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G226-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G226-0153
  • 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 G226-0153 available by request