T742-0179 Screening compound: 5-benzyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole

T742-0179 Screening compound: 5-benzyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
T742-0179 Screening compound: 5-benzyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T742-0179
5-benzyl-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

T742-0179

Molecular Formula

C14H14N4O (C14 H14 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nccn1Cc1noc(Cc2ccccc2)n1

InChI

InChI=1S/C14H14N4O/c1-11-15-7-8-18(11)10-13-16-14(19-17-13)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3

InChI Key

YVXWLIHWRWRAPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

-0.947

Water Solubility, LogSw

-1.80

Polar Surface Area

44.859

Acid Dissociation Constant (pKa)

28.29

Base Dissociation Constant (pKb)

10.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

T742-0179 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with T742-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T742-0179?
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What is the minimum amount of T742-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T742-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T742-0179
  • 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 T742-0179 available by request