P597-0080 Screening compound: 6-{5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole

P597-0080 Screening compound: 6-{5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole
P597-0080 Screening compound: 6-{5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0080
6-{5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-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

P597-0080

Molecular Formula

C17H13FN4O (C17 H13 FN4 O)

Compound Name

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

IUPAC name

6-{5-[(3-fluorophenyl)methyl]-124-oxadiazol-3-yl}-1-methyl-1H-13-benzodiazole

SMILES

Cn1c(cc(cc2)-c3noc(Cc4cccc(F)c4)n3)c2nc1

InChI

InChI=1S/C17H13FN4O/c1-22-10-19-14-6-5-12(9-15(14)22)17-20-16(23-21-17)8-11-3-2-4-13(18)7-11/h2-7,9-10H,8H2,1H3

InChI Key

SPENGCRISBKEFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606109

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

3.787

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-4.12

Polar Surface Area

42.322

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

P597-0080 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P597-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0080?
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What is the minimum amount of P597-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0080
  • 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 P597-0080 available by request