G621-0031 Screening compound: 2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

G621-0031 Screening compound: 2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
G621-0031 Screening compound: 2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0031
2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)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

G621-0031

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

IUPAC name

2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-N-(246-trimethylphenyl)acetamide

SMILES

Cc1ccc(Cn2c(SCC(Nc3c(C)cc(C)cc3C)=O)ncc2CO)cc1

InChI

InChI=1S/C23H27N3O2S/c1-15-5-7-19(8-6-15)12-26-20(13-27)11-24-23(26)29-14-21(28)25-22-17(3)9-16(2)10-18(22)4/h5-11,27H,12-14H2,1-4H3,(H,25,28)

InChI Key

KHHKQSMBABESFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09023628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-3.78

Polar Surface Area

50.113

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with G621-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0031?
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What is the minimum amount of G621-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0031
  • 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 G621-0031 available by request