3051-0006 Screening compound: 2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methyl-1H-1,3-benzodiazole

3051-0006 Screening compound: 2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methyl-1H-1,3-benzodiazole
3051-0006 Screening compound: 2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3051-0006
2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methyl-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

3051-0006

Molecular Formula

C20H24N2OS (C20 H24 N2 OS)

Compound Name

2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methyl-1H-1,3-benzodiazole

IUPAC name

2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methyl-1H-13-benzodiazole

SMILES

CC(C)(C)c(cc1)ccc1OCCSc1nc(ccc(C)c2)c2[nH]1

InChI

InChI=1S/C20H24N2OS/c1-14-5-10-17-18(13-14)22-19(21-17)24-12-11-23-16-8-6-15(7-9-16)20(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,21,22)

InChI Key

BVAJGGZUEOUHMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02063273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.738

Distribution Coefficient, logD

5.735

Water Solubility, LogSw

-5.46

Polar Surface Area

25.398

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 3051-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3051-0006?
Check Price and Availability of 3051-0006, 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 3051-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3051-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3051-0006
  • 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 3051-0006 available by request