1676-0022 Screening compound: 6-bromo-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

1676-0022 Screening compound: 6-bromo-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole
1676-0022 Screening compound: 6-bromo-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1676-0022
6-bromo-2-{[2-(4-methylphenoxy)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

1676-0022

Molecular Formula

C16H15BrN2OS (C16 H15 BrN2 OS)

Compound Name

6-bromo-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

6-bromo-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1OCCSc1nc(ccc(Br)c2)c2[nH]1

InChI

InChI=1S/C16H15BrN2OS/c1-11-2-5-13(6-3-11)20-8-9-21-16-18-14-7-4-12(17)10-15(14)19-16/h2-7,10H,8-9H2,1H3,(H,18,19)

InChI Key

BSJVQALQZHOLBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01081121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.28

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

4.762

Distribution Coefficient, logD

4.761

Water Solubility, LogSw

-4.54

Polar Surface Area

25.398

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

1676-0022 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1676-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1676-0022?
Check Price and Availability of 1676-0022, 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 1676-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1676-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1676-0022
  • 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 1676-0022 available by request