G621-0467 Screening compound: (2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl)methanol

G621-0467 Screening compound: (2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl)methanol
G621-0467 Screening compound: (2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0467
(2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-[(4-methoxyphenyl)methyl]-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

G621-0467

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

(2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl)methanol

IUPAC name

(2-{[(25-dimethylphenyl)methyl]sulfanyl}-1-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl)methanol

SMILES

Cc1cc(CSc2ncc(CO)n2Cc(cc2)ccc2OC)c(C)cc1

InChI

InChI=1S/C21H24N2O2S/c1-15-4-5-16(2)18(10-15)14-26-21-22-11-19(13-24)23(21)12-17-6-8-20(25-3)9-7-17/h4-11,24H,12-14H2,1-3H3

InChI Key

KAQQEJFRJYFSCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09023913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

4.817

Water Solubility, LogSw

-4.55

Polar Surface Area

35.903

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G621-0467 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 G621-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0467?
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What is the minimum amount of G621-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0467
  • 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 G621-0467 available by request