D011-3349 Screening compound: 5-chloro-2-[(2-cyclohexylethyl)sulfanyl]-1H-1,3-benzodiazole

D011-3349 Screening compound: 5-chloro-2-[(2-cyclohexylethyl)sulfanyl]-1H-1,3-benzodiazole
D011-3349 Screening compound: 5-chloro-2-[(2-cyclohexylethyl)sulfanyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3349
5-chloro-2-[(2-cyclohexylethyl)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

D011-3349

Molecular Formula

C15H19ClN2S (C15 H19 ClN2 S)

Compound Name

5-chloro-2-[(2-cyclohexylethyl)sulfanyl]-1H-1,3-benzodiazole

IUPAC name

5-chloro-2-[(2-cyclohexylethyl)sulfanyl]-1H-13-benzodiazole

SMILES

Clc(cc1)cc2c1[nH]c(SCCC1CCCCC1)n2

InChI

InChI=1S/C15H19ClN2S/c16-12-6-7-13-14(10-12)18-15(17-13)19-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18)

InChI Key

CJNHHLQKLMRAMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06490679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.217

Distribution Coefficient, logD

5.213

Water Solubility, LogSw

-5.79

Polar Surface Area

18.172

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

D011-3349 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D011-3349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3349?
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What is the minimum amount of D011-3349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3349
  • 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 D011-3349 available by request