C147-0172 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-ethyl-1H-1,3-benzodiazole

C147-0172 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-ethyl-1H-1,3-benzodiazole
C147-0172 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-ethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C147-0172
2-[(4-tert-butylphenoxy)methyl]-1-ethyl-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

C147-0172

Molecular Formula

C20H24N2O (C20 H24 N2 O)

Compound Name

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

IUPAC name

2-[(4-tert-butylphenoxy)methyl]-1-ethyl-1H-13-benzodiazole

SMILES

CCn1c(cccc2)c2nc1COc1ccc(C(C)(C)C)cc1

InChI

InChI=1S/C20H24N2O/c1-5-22-18-9-7-6-8-17(18)21-19(22)14-23-16-12-10-15(11-13-16)20(2,3)4/h6-13H,5,14H2,1-4H3

InChI Key

CHFLBBBHULXWGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.593

Distribution Coefficient, logD

5.593

Water Solubility, LogSw

-5.66

Polar Surface Area

18.367

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C147-0172 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C147-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C147-0172?
Check Price and Availability of C147-0172, 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 C147-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C147-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C147-0172
  • 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 C147-0172 available by request