T742-0168 Screening compound: 5-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole

T742-0168 Screening compound: 5-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
T742-0168 Screening compound: 5-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T742-0168
5-(1,3-benzodioxol-5-yl)-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

T742-0168

Molecular Formula

C14H12N4O3 (C14 H12 N4 O3)

Compound Name

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

IUPAC name

5-(2H-13-benzodioxol-5-yl)-3-[(2-methyl-1H-imidazol-1-yl)methyl]-124-oxadiazole

SMILES

Cc1nccn1Cc1noc(-c(cc2)cc3c2OCO3)n1

InChI

InChI=1S/C14H12N4O3/c1-9-15-4-5-18(9)7-13-16-14(21-17-13)10-2-3-11-12(6-10)20-8-19-11/h2-6H,7-8H2,1H3

InChI Key

GHAYUTVTLVATDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

-1.118

Water Solubility, LogSw

-1.89

Polar Surface Area

62.308

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

10.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

T742-0168 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with T742-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T742-0168?
Check Price and Availability of T742-0168, 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 T742-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T742-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T742-0168
  • 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 T742-0168 available by request