G226-0159 Screening compound: ethyl 3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate

G226-0159 Screening compound: ethyl 3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate
G226-0159 Screening compound: ethyl 3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G226-0159
ethyl 3-{[4-(2,5-dimethylphenyl)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

G226-0159

Molecular Formula

C23H26N2O4S2 (C23 H26 N2 O4 S2)

Compound Name

ethyl 3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate

IUPAC name

ethyl 3-{[4-(25-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate

SMILES

CCOC(c(sc1c2cccc1)c2S(N(CC1)CCN1c1c(C)ccc(C)c1)(=O)=O)=O

InChI

InChI=1S/C23H26N2O4S2/c1-4-29-23(26)21-22(18-7-5-6-8-20(18)30-21)31(27,28)25-13-11-24(12-14-25)19-15-16(2)9-10-17(19)3/h5-10,15H,4,11-14H2,1-3H3

InChI Key

RKTLUBPSBWAAKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.245

Distribution Coefficient, logD

5.245

Water Solubility, LogSw

-5.32

Polar Surface Area

56.409

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G226-0159 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G226-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G226-0159?
Check Price and Availability of G226-0159, 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 G226-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G226-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G226-0159
  • 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 G226-0159 available by request