G225-0478 Screening compound: methyl 3-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-4-(4-methylphenyl)thiophene-2-carboxylate

G225-0478 Screening compound: methyl 3-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-4-(4-methylphenyl)thiophene-2-carboxylate
G225-0478 Screening compound: methyl 3-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-4-(4-methylphenyl)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G225-0478
methyl 3-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-4-(4-methylphenyl)thiophene-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

G225-0478

Molecular Formula

C25H26N2O5S2 (C25 H26 N2 O5 S2)

Compound Name

methyl 3-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-4-(4-methylphenyl)thiophene-2-carboxylate

IUPAC name

methyl 3-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-4-(4-methylphenyl)thiophene-2-carboxylate

SMILES

CC(c(cc1)ccc1N(CC1)CCN1S(c1c(C(OC)=O)scc1-c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C25H26N2O5S2/c1-17-4-6-20(7-5-17)22-16-33-23(25(29)32-3)24(22)34(30,31)27-14-12-26(13-15-27)21-10-8-19(9-11-21)18(2)28/h4-11,16H,12-15H2,1-3H3

InChI Key

LJYGQVIHPAXUQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.23

Polar Surface Area

70.957

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G225-0478 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 G225-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G225-0478?
Check Price and Availability of G225-0478, 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 G225-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G225-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G225-0478
  • 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 G225-0478 available by request