1535-0004 Screening compound: 2-{[2-(2-fluorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

1535-0004 Screening compound: 2-{[2-(2-fluorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole
1535-0004 Screening compound: 2-{[2-(2-fluorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1535-0004
2-{[2-(2-fluorophenoxy)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

1535-0004

Molecular Formula

C15H13FN2OS (C15 H13 FN2 OS)

Compound Name

2-{[2-(2-fluorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

n/a

SMILES

Fc(cccc1)c1OCCSc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C15H13FN2OS/c16-11-5-1-4-8-14(11)19-9-10-20-15-17-12-6-2-3-7-13(12)18-15/h1-8H,9-10H2,(H,17,18)

InChI Key

YQEXGNBKNUWQGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.445

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.75

Polar Surface Area

25.484

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 1535-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1535-0004?
Check Price and Availability of 1535-0004, 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 1535-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1535-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1535-0004
  • 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 1535-0004 available by request