G621-0016 Screening compound: 2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

G621-0016 Screening compound: 2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
G621-0016 Screening compound: 2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0016
2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

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

G621-0016

Molecular Formula

C24H28N4O2S (C24 H28 N4 O2 S)

Compound Name

2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

IUPAC name

2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

SMILES

Cc1ccc(Cn2c(SCC(N(CC3)CCN3c3ccccc3)=O)ncc2CO)cc1

InChI

InChI=1S/C24H28N4O2S/c1-19-7-9-20(10-8-19)16-28-22(17-29)15-25-24(28)31-18-23(30)27-13-11-26(12-14-27)21-5-3-2-4-6-21/h2-10,15,29H,11-14,16-18H2,1H3

InChI Key

AEDVOKPLQFYTMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08539484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.340

Water Solubility, LogSw

-3.11

Polar Surface Area

48.012

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G621-0016 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G621-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0016?
Check Price and Availability of G621-0016, 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 G621-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0016
  • 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 G621-0016 available by request