8004-7665 Screening compound: 2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

8004-7665 Screening compound: 2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
8004-7665 Screening compound: 2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7665
2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

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

8004-7665

Molecular Formula

C18H19BrN2S (C18 H19 BrN2 S)

Compound Name

2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

2-{[(4-bromo-2356-tetramethylphenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc1c(C)c(Br)c(C)c(C)c1CSc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C18H19BrN2S/c1-10-12(3)17(19)13(4)11(2)14(10)9-22-18-20-15-7-5-6-8-16(15)21-18/h5-8H,9H2,1-4H3,(H,20,21)

InChI Key

FXAAJTPPPSJUCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00746518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.806

Distribution Coefficient, logD

5.592

Water Solubility, LogSw

-5.78

Polar Surface Area

17.980

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8004-7665 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8004-7665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7665?
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What is the minimum amount of 8004-7665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7665
  • 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 8004-7665 available by request