5820-0001 Screening compound: 3-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)propane-1,2-diol

5820-0001 Screening compound: 3-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)propane-1,2-diol
5820-0001 Screening compound: 3-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)propane-1,2-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5820-0001
3-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)propane-1,2-diol

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

5820-0001

Molecular Formula

C19H22N2O3S (C19 H22 N2 O3 S)

Compound Name

3-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)propane-1,2-diol

IUPAC name

3-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)propane-12-diol

SMILES

Cc(cccc1)c1OCCSc1nc(cccc2)c2n1CC(CO)O

InChI

InChI=1S/C19H22N2O3S/c1-14-6-2-5-9-18(14)24-10-11-25-19-20-16-7-3-4-8-17(16)21(19)12-15(23)13-22/h2-9,15,22-23H,10-13H2,1H3/t15-/m0/s1

InChI Key

AHLLOCARPWLEJN-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.52

Polar Surface Area

51.988

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 5820-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5820-0001?
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What is the minimum amount of 5820-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5820-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5820-0001
  • 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 5820-0001 available by request