2359-0125 Screening compound: 2-{[(3-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

2359-0125 Screening compound: 2-{[(3-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
2359-0125 Screening compound: 2-{[(3-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2359-0125
2-{[(3-bromophenyl)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

2359-0125

Molecular Formula

C14H11BrN2S (C14 H11 BrN2 S)

Compound Name

2-{[(3-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

2-{[(3-bromophenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

Brc1cc(CSc2nc(cccc3)c3[nH]2)ccc1

InChI

InChI=1S/C14H11BrN2S/c15-11-5-3-4-10(8-11)9-18-14-16-12-6-1-2-7-13(12)17-14/h1-8H,9H2,(H,16,17)

InChI Key

BWFQMKUEJVFJEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01446154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.22

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

4.167

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.44

Polar Surface Area

17.980

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2359-0125 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2359-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2359-0125?
Check Price and Availability of 2359-0125, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2359-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2359-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2359-0125
  • 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 2359-0125 available by request