1069-0088 Screening compound: 2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1-(2-phenylethyl)-1H-1,3-benzodiazole

1069-0088 Screening compound: 2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1-(2-phenylethyl)-1H-1,3-benzodiazole
1069-0088 Screening compound: 2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1-(2-phenylethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1069-0088
2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1-(2-phenylethyl)-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

1069-0088

Molecular Formula

C21H25N3OS (C21 H25 N3 OS)

Compound Name

2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1-(2-phenylethyl)-1H-1,3-benzodiazole

IUPAC name

2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1-(2-phenylethyl)-1H-13-benzodiazole

SMILES

C(Cn1c(SCCN2CCOCC2)nc2c1cccc2)c1ccccc1

InChI

InChI=1S/C21H25N3OS/c1-2-6-18(7-3-1)10-11-24-20-9-5-4-8-19(20)22-21(24)26-17-14-23-12-15-25-16-13-23/h1-9H,10-17H2

InChI Key

WOHCLBKOCREOSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00994296

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

367.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-4.05

Polar Surface Area

22.347

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

1069-0088 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1069-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1069-0088?
Check Price and Availability of 1069-0088, 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 1069-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1069-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1069-0088
  • 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 1069-0088 available by request