P597-0212 Screening compound: 1-ethyl-6-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazole

P597-0212 Screening compound: 1-ethyl-6-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazole
P597-0212 Screening compound: 1-ethyl-6-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0212
1-ethyl-6-[5-(2-fluorophenyl)-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

P597-0212

Molecular Formula

C17H13FN4O (C17 H13 FN4 O)

Compound Name

1-ethyl-6-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazole

IUPAC name

1-ethyl-6-[5-(2-fluorophenyl)-124-oxadiazol-3-yl]-1H-13-benzodiazole

SMILES

CCn1c(cc(cc2)-c3noc(-c(cccc4)c4F)n3)c2nc1

InChI

InChI=1S/C17H13FN4O/c1-2-22-10-19-14-8-7-11(9-15(14)22)16-20-17(23-21-16)12-5-3-4-6-13(12)18/h3-10H,2H2,1H3

InChI Key

JWKCZDHNHXWBHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.31

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

3.647

Distribution Coefficient, logD

3.633

Water Solubility, LogSw

-3.92

Polar Surface Area

41.825

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

P597-0212 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P597-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0212?
Check Price and Availability of P597-0212, 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 P597-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0212
  • 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 P597-0212 available by request