P766-0052 Screening compound: [2-(5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)ethyl]dimethylamine

P766-0052 Screening compound: [2-(5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)ethyl]dimethylamine
P766-0052 Screening compound: [2-(5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)ethyl]dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound P766-0052
[2-(5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)ethyl]dimethylamine

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

P766-0052

Molecular Formula

C19H19FN6O (C19 H19 FN6 O)

Compound Name

[2-(5-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)ethyl]dimethylamine

IUPAC name

[2-(5-{5-[(4-fluorophenyl)methyl]-124-oxadiazol-3-yl}-1H-123-benzotriazol-1-yl)ethyl]dimethylamine

SMILES

CN(C)CCn1nnc2c1ccc(-c1noc(Cc(cc3)ccc3F)n1)c2

InChI

InChI=1S/C19H19FN6O/c1-25(2)9-10-26-17-8-5-14(12-16(17)22-24-26)19-21-18(27-23-19)11-13-3-6-15(20)7-4-13/h3-8,12H,9-11H2,1-2H3

InChI Key

FJHKGFKHFQLUSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.232

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.25

Polar Surface Area

60.852

Acid Dissociation Constant (pKa)

25.69

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

P766-0052 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P766-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P766-0052?
Check Price and Availability of P766-0052, 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 P766-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P766-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P766-0052
  • 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 P766-0052 available by request