Y080-0418 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-propyl-1H-1,3-benzodiazole

Y080-0418 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-propyl-1H-1,3-benzodiazole
Y080-0418 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-propyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0418
2-[(4-tert-butylphenoxy)methyl]-1-propyl-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

Y080-0418

Molecular Formula

C21H26N2O (C21 H26 N2 O)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c(cccc2)c2nc1COc1ccc(C(C)(C)C)cc1

InChI

InChI=1S/C21H26N2O/c1-5-14-23-19-9-7-6-8-18(19)22-20(23)15-24-17-12-10-16(11-13-17)21(2,3)4/h6-13H,5,14-15H2,1-4H3

InChI Key

SXVCIVZYXNRAQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03669175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.050

Distribution Coefficient, logD

6.050

Water Solubility, LogSw

-5.76

Polar Surface Area

18.621

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

Y080-0418 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 Y080-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0418?
Check Price and Availability of Y080-0418, 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 Y080-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0418
  • 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 Y080-0418 available by request