8008-5281 Screening compound: 2-[(4-bromo-2,3,5,6-tetramethylbenzyl)sulfanyl]-1-methyl-1H-imidazole

8008-5281 Screening compound: 2-[(4-bromo-2,3,5,6-tetramethylbenzyl)sulfanyl]-1-methyl-1H-imidazole
8008-5281 Screening compound: 2-[(4-bromo-2,3,5,6-tetramethylbenzyl)sulfanyl]-1-methyl-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5281
2-[(4-bromo-2,3,5,6-tetramethylbenzyl)sulfanyl]-1-methyl-1H-imidazole

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

8008-5281

Molecular Formula

C15H19BrN2S (C15 H19 BrN2 S)

Compound Name

2-[(4-bromo-2,3,5,6-tetramethylbenzyl)sulfanyl]-1-methyl-1H-imidazole

IUPAC name

2-{[(4-bromo-2356-tetramethylphenyl)methyl]sulfanyl}-1-methyl-1H-imidazole

SMILES

Cc1c(C)c(Br)c(C)c(C)c1CSc1nccn1C

InChI

InChI=1S/C15H19BrN2S/c1-9-11(3)14(16)12(4)10(2)13(9)8-19-15-17-6-7-18(15)5/h6-7H,8H2,1-5H3

InChI Key

WPEOOFDFPFSIBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-4.45

Polar Surface Area

12.886

Acid Dissociation Constant (pKa)

23.31

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8008-5281 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-5281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5281?
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What is the minimum amount of 8008-5281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5281
  • 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 8008-5281 available by request