3948-0229 Screening compound: 2-{[2-(4-chloro-2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

3948-0229 Screening compound: 2-{[2-(4-chloro-2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole
3948-0229 Screening compound: 2-{[2-(4-chloro-2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3948-0229
2-{[2-(4-chloro-2-methylphenoxy)ethyl]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

3948-0229

Molecular Formula

C16H15ClN2OS (C16 H15 ClN2 OS)

Compound Name

2-{[2-(4-chloro-2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

2-{[2-(4-chloro-2-methylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc(cc(cc1)Cl)c1OCCSc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C16H15ClN2OS/c1-11-10-12(17)6-7-15(11)20-8-9-21-16-18-13-4-2-3-5-14(13)19-16/h2-7,10H,8-9H2,1H3,(H,18,19)

InChI Key

FTVJDJIKDOAYGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02919223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.870

Distribution Coefficient, logD

4.868

Water Solubility, LogSw

-4.82

Polar Surface Area

25.484

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

3948-0229 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3948-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3948-0229?
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What is the minimum amount of 3948-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3948-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3948-0229
  • 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 3948-0229 available by request