G621-0221 Screening compound: (1-benzyl-2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1H-imidazol-5-yl)methanol

G621-0221 Screening compound: (1-benzyl-2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1H-imidazol-5-yl)methanol
G621-0221 Screening compound: (1-benzyl-2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1H-imidazol-5-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0221
(1-benzyl-2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1H-imidazol-5-yl)methanol

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

G621-0221

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

(1-benzyl-2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1H-imidazol-5-yl)methanol

IUPAC name

(1-benzyl-2-{[(35-dimethoxyphenyl)methyl]sulfanyl}-1H-imidazol-5-yl)methanol

SMILES

COc1cc(CSc2ncc(CO)n2Cc2ccccc2)cc(OC)c1

InChI

InChI=1S/C20H22N2O3S/c1-24-18-8-16(9-19(10-18)25-2)14-26-20-21-11-17(13-23)22(20)12-15-6-4-3-5-7-15/h3-11,23H,12-14H2,1-2H3

InChI Key

XXOYWVUCKTZTFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09023751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

3.754

Water Solubility, LogSw

-3.91

Polar Surface Area

43.447

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G621-0221 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 G621-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0221?
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What is the minimum amount of G621-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0221
  • 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 G621-0221 available by request