P507-0355 Screening compound: 4-{3-[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}-N,N-dimethylaniline

P507-0355 Screening compound: 4-{3-[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}-N,N-dimethylaniline
P507-0355 Screening compound: 4-{3-[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound P507-0355
4-{3-[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}-N,N-dimethylaniline

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

P507-0355

Molecular Formula

C18H15FN6O (C18 H15 FN6 O)

Compound Name

4-{3-[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}-N,N-dimethylaniline

IUPAC name

4-{3-[1-(4-fluorophenyl)-1H-123-triazol-4-yl]-124-oxadiazol-5-yl}-NN-dimethylaniline

SMILES

CN(C)c(cc1)ccc1-c1nc(-c2cn(-c(cc3)ccc3F)nn2)no1

InChI

InChI=1S/C18H15FN6O/c1-24(2)14-7-3-12(4-8-14)18-20-17(22-26-18)16-11-25(23-21-16)15-9-5-13(19)6-10-15/h3-11H,1-2H3

InChI Key

RSQLLJOTJQLJRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-4.07

Polar Surface Area

60.814

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

P507-0355 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P507-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P507-0355?
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What is the minimum amount of P507-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P507-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P507-0355
  • 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 P507-0355 available by request