D381-0444 Screening compound: 2-(4-fluorophenoxy)-N-(2-methylquinolin-8-yl)butanamide

D381-0444 Screening compound: 2-(4-fluorophenoxy)-N-(2-methylquinolin-8-yl)butanamide
D381-0444 Screening compound: 2-(4-fluorophenoxy)-N-(2-methylquinolin-8-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D381-0444
2-(4-fluorophenoxy)-N-(2-methylquinolin-8-yl)butanamide

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

D381-0444

Molecular Formula

C20H19FN2O2 (C20 H19 FN2 O2)

Compound Name

2-(4-fluorophenoxy)-N-(2-methylquinolin-8-yl)butanamide

IUPAC name

2-(4-fluorophenoxy)-N-(2-methylquinolin-8-yl)butanamide

SMILES

CCC(C(Nc1cccc2ccc(C)nc12)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C20H19FN2O2/c1-3-18(25-16-11-9-15(21)10-12-16)20(24)23-17-6-4-5-14-8-7-13(2)22-19(14)17/h4-12,18H,3H2,1-2H3,(H,23,24)/t18-/m0/s1

InChI Key

YRCVNTUVYDPWJB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD12916683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.684

Distribution Coefficient, logD

4.682

Water Solubility, LogSw

-5.11

Polar Surface Area

38.212

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D381-0444 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 D381-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D381-0444?
Check Price and Availability of D381-0444, 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 D381-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D381-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D381-0444
  • 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 D381-0444 available by request