T742-0014 Screening compound: 5-(4-fluorophenyl)-3-[(1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole

T742-0014 Screening compound: 5-(4-fluorophenyl)-3-[(1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
T742-0014 Screening compound: 5-(4-fluorophenyl)-3-[(1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T742-0014
5-(4-fluorophenyl)-3-[(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

T742-0014

Molecular Formula

C12H9FN4O (C12 H9 FN4 O)

Compound Name

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

IUPAC name

5-(4-fluorophenyl)-3-[(1H-imidazol-1-yl)methyl]-124-oxadiazole

SMILES

Fc(cc1)ccc1-c1nc(Cn2cncc2)no1

InChI

InChI=1S/C12H9FN4O/c13-10-3-1-9(2-4-10)12-15-11(16-18-12)7-17-6-5-14-8-17/h1-6,8H,7H2

InChI Key

OWLVBNGUWRQJNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.23

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

1.749

Distribution Coefficient, logD

0.346

Water Solubility, LogSw

-1.95

Polar Surface Area

45.457

Acid Dissociation Constant (pKa)

28.78

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

T742-0014 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • Kinases
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T742-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T742-0014?
Check Price and Availability of T742-0014, 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 T742-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T742-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T742-0014
  • 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 T742-0014 available by request