G621-0448 Screening compound: N-[(furan-2-yl)methyl]-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}acetamide

G621-0448 Screening compound: N-[(furan-2-yl)methyl]-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}acetamide
G621-0448 Screening compound: N-[(furan-2-yl)methyl]-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0448
N-[(furan-2-yl)methyl]-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-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

G621-0448

Molecular Formula

C19H21N3O4S (C19 H21 N3 O4 S)

Compound Name

N-[(furan-2-yl)methyl]-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}acetamide

SMILES

COc1ccc(Cn2c(SCC(NCc3ccco3)=O)ncc2CO)cc1

InChI

InChI=1S/C19H21N3O4S/c1-25-16-6-4-14(5-7-16)11-22-15(12-23)9-21-19(22)27-13-18(24)20-10-17-3-2-8-26-17/h2-9,23H,10-13H2,1H3,(H,20,24)

InChI Key

JNKMQMOKLZOWJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09023903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.446

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-2.41

Polar Surface Area

68.123

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G621-0448 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 G621-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0448?
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What is the minimum amount of G621-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0448
  • 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 G621-0448 available by request