1537-0014 Screening compound: 1-benzyl-2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

1537-0014 Screening compound: 1-benzyl-2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole
1537-0014 Screening compound: 1-benzyl-2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1537-0014
1-benzyl-2-{[2-(3,4-dimethylphenoxy)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

1537-0014

Molecular Formula

C24H24N2OS (C24 H24 N2 OS)

Compound Name

1-benzyl-2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

1-benzyl-2-{[2-(34-dimethylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc(cc1)c(C)cc1OCCSc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C24H24N2OS/c1-18-12-13-21(16-19(18)2)27-14-15-28-24-25-22-10-6-7-11-23(22)26(24)17-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3

InChI Key

SHQODUQROMANJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.709

Distribution Coefficient, logD

6.709

Water Solubility, LogSw

-5.76

Polar Surface Area

17.895

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

1537-0014 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1537-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1537-0014?
Check Price and Availability of 1537-0014, 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 1537-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1537-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1537-0014
  • 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 1537-0014 available by request