G945-0147 Screening compound: 1-methyl-5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole

G945-0147 Screening compound: 1-methyl-5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole
G945-0147 Screening compound: 1-methyl-5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0147
1-methyl-5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-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

G945-0147

Molecular Formula

C17H11F3N4O (C17 H11 F3 N4 O)

Compound Name

1-methyl-5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole

IUPAC name

1-methyl-5-{5-[4-(trifluoromethyl)phenyl]-124-oxadiazol-3-yl}-1H-13-benzodiazole

SMILES

Cn1c(ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)c2)c2nc1

InChI

InChI=1S/C17H11F3N4O/c1-24-9-21-13-8-11(4-7-14(13)24)15-22-16(25-23-15)10-2-5-12(6-3-10)17(18,19)20/h2-9H,1H3

InChI Key

UDHTYRXIGCNBLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.3

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

4.483

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.54

Polar Surface Area

42.656

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G945-0147 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G945-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0147?
Check Price and Availability of G945-0147, 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 G945-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0147
  • 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 G945-0147 available by request