8017-9595 Screening compound: 4-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-2-methylquinoline

8017-9595 Screening compound: 4-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-2-methylquinoline
8017-9595 Screening compound: 4-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-2-methylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9595
4-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-2-methylquinoline

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

8017-9595

Molecular Formula

C19H14FN3O (C19 H14 FN3 O)

Compound Name

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

IUPAC name

4-{5-[(4-fluorophenyl)methyl]-124-oxadiazol-3-yl}-2-methylquinoline

SMILES

Cc1nc2ccccc2c(-c2noc(Cc(cc3)ccc3F)n2)c1

InChI

InChI=1S/C19H14FN3O/c1-12-10-16(15-4-2-3-5-17(15)21-12)19-22-18(24-23-19)11-13-6-8-14(20)9-7-13/h2-10H,11H2,1H3

InChI Key

VDOJCBKDAWBGTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.35

Polar Surface Area

39.447

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8017-9595 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 8017-9595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9595?
Check Price and Availability of 8017-9595, 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 8017-9595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9595
  • 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 8017-9595 available by request