G621-0181 Screening compound: 2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide

G621-0181 Screening compound: 2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
G621-0181 Screening compound: 2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0181
2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}-N-(4-acetamidophenyl)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

G621-0181

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide

IUPAC name

2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide

SMILES

CC(Nc(cc1)ccc1NC(CSc1ncc(CO)n1Cc1ccccc1)=O)=O

InChI

InChI=1S/C21H22N4O3S/c1-15(27)23-17-7-9-18(10-8-17)24-20(28)14-29-21-22-11-19(13-26)25(21)12-16-5-3-2-4-6-16/h2-11,26H,12-14H2,1H3,(H,23,27)(H,24,28)

InChI Key

XNWCWYUWCVRNGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09023728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.233

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-2.43

Polar Surface Area

74.770

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G621-0181 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G621-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0181?
Check Price and Availability of G621-0181, 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 G621-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0181
  • 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 G621-0181 available by request