P597-0053 Screening compound: 6-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methyl-1H-1,3-benzodiazole

P597-0053 Screening compound: 6-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methyl-1H-1,3-benzodiazole
P597-0053 Screening compound: 6-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0053
6-[5-(4-fluorophenyl)-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

P597-0053

Molecular Formula

C16H11FN4O (C16 H11 FN4 O)

Compound Name

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

IUPAC name

6-[5-(4-fluorophenyl)-124-oxadiazol-3-yl]-1-methyl-1H-13-benzodiazole

SMILES

Cn1c(cc(cc2)-c3noc(-c(cc4)ccc4F)n3)c2nc1

InChI

InChI=1S/C16H11FN4O/c1-21-9-18-13-7-4-11(8-14(13)21)15-19-16(22-20-15)10-2-5-12(17)6-3-10/h2-9H,1H3

InChI Key

XAHPVBPSENCINT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.532

Water Solubility, LogSw

-4.03

Polar Surface Area

42.656

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

P597-0053 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P597-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0053?
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What is the minimum amount of P597-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0053
  • 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 P597-0053 available by request