G225-0242 Screening compound: methyl 3-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-4-phenylthiophene-2-carboxylate

G225-0242 Screening compound: methyl 3-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-4-phenylthiophene-2-carboxylate
G225-0242 Screening compound: methyl 3-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-4-phenylthiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G225-0242
methyl 3-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-4-phenylthiophene-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

G225-0242

Molecular Formula

C24H24N2O5S2 (C24 H24 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1N(CC1)CCN1S(c1c(C(OC)=O)scc1-c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C24H24N2O5S2/c1-17(27)18-8-10-20(11-9-18)25-12-14-26(15-13-25)33(29,30)23-21(19-6-4-3-5-7-19)16-32-22(23)24(28)31-2/h3-11,16H,12-15H2,1-2H3

InChI Key

ZKZBXDPZCPVDME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

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

3.828

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-3.93

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

25.00

G225-0242 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G225-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G225-0242?
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What is the minimum amount of G225-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G225-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G225-0242
  • 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 G225-0242 available by request