1069-0081 Screening compound: 5-methoxy-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,3-benzodiazole

1069-0081 Screening compound: 5-methoxy-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,3-benzodiazole
1069-0081 Screening compound: 5-methoxy-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1069-0081
5-methoxy-2-{[2-(piperidin-1-yl)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

1069-0081

Molecular Formula

C15H21N3OS (C15 H21 N3 OS)

Compound Name

5-methoxy-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

5-methoxy-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-1H-13-benzodiazole

SMILES

COc(cc1)cc2c1[nH]c(SCCN1CCCCC1)n2

InChI

InChI=1S/C15H21N3OS/c1-19-12-5-6-13-14(11-12)17-15(16-13)20-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H,16,17)

InChI Key

AJTPNHQTIIZFEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00994291

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

291.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

0.566

Water Solubility, LogSw

-2.89

Polar Surface Area

29.506

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

1069-0081 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 1069-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1069-0081?
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What is the minimum amount of 1069-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1069-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1069-0081
  • 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 1069-0081 available by request