G621-0190 Screening compound: N-(1,3-BENZOTHIAZOL-2-YL)-2-{[1-BENZYL-5-(HYDROXYMETHYL)-1H-IMIDAZOL-2-YL]SULFANYL}ACETAMIDE

G621-0190 Screening compound: N-(1,3-BENZOTHIAZOL-2-YL)-2-{[1-BENZYL-5-(HYDROXYMETHYL)-1H-IMIDAZOL-2-YL]SULFANYL}ACETAMIDE
G621-0190 Screening compound: N-(1,3-BENZOTHIAZOL-2-YL)-2-{[1-BENZYL-5-(HYDROXYMETHYL)-1H-IMIDAZOL-2-YL]SULFANYL}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0190
N-(1,3-BENZOTHIAZOL-2-YL)-2-{[1-BENZYL-5-(HYDROXYMETHYL)-1H-IMIDAZOL-2-YL]SULFANYL}ACETAMIDE

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

G621-0190

Molecular Formula

C20H18N4O2S2 (C20 H18 N4 O2 S2)

Compound Name

N-(1,3-BENZOTHIAZOL-2-YL)-2-{[1-BENZYL-5-(HYDROXYMETHYL)-1H-IMIDAZOL-2-YL]SULFANYL}ACETAMIDE

IUPAC name

n/a

SMILES

OCc(n1Cc2ccccc2)cnc1SCC(Nc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C20H18N4O2S2/c25-12-15-10-21-20(24(15)11-14-6-2-1-3-7-14)27-13-18(26)23-19-22-16-8-4-5-9-17(16)28-19/h1-10,25H,11-13H2,(H,22,23,26)

InChI Key

AGQGBFBQNGEELU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.802

Water Solubility, LogSw

-3.82

Polar Surface Area

61.270

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

G621-0190 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 G621-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0190?
Check Price and Availability of G621-0190, 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 G621-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0190
  • 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 G621-0190 available by request