T742-0219 Screening compound: 5-cyclobutyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole

T742-0219 Screening compound: 5-cyclobutyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
T742-0219 Screening compound: 5-cyclobutyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T742-0219
5-cyclobutyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole

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

T742-0219

Molecular Formula

C11H14N4O (C11 H14 N4 O)

Compound Name

5-cyclobutyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole

IUPAC name

5-cyclobutyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-124-oxadiazole

SMILES

Cc1nccn1Cc1noc(C2CCC2)n1

InChI

InChI=1S/C11H14N4O/c1-8-12-5-6-15(8)7-10-13-11(16-14-10)9-3-2-4-9/h5-6,9H,2-4,7H2,1H3

InChI Key

VHZQYLZUBOZDBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.988

Distribution Coefficient, logD

-1.721

Water Solubility, LogSw

-1.03

Polar Surface Area

45.716

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

10.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

T742-0219 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with T742-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T742-0219?
Check Price and Availability of T742-0219, 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 T742-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T742-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T742-0219
  • 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 T742-0219 available by request