D011-3065 Screening compound: 2-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole

D011-3065 Screening compound: 2-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole
D011-3065 Screening compound: 2-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3065
2-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-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

D011-3065

Molecular Formula

C15H13ClN2S (C15 H13 ClN2 S)

Compound Name

2-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole

IUPAC name

2-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-1H-13-benzodiazole

SMILES

Clc1ccc(CSCc2nc(cccc3)c3[nH]2)cc1

InChI

InChI=1S/C15H13ClN2S/c16-12-7-5-11(6-8-12)9-19-10-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2,(H,17,18)

InChI Key

BXOOPPAYAHTSCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03715630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.8

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

4.580

Distribution Coefficient, logD

4.580

Water Solubility, LogSw

-4.89

Polar Surface Area

20.248

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D011-3065 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with D011-3065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3065?
Check Price and Availability of D011-3065, 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 D011-3065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3065
  • 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 D011-3065 available by request