D390-1296 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(quinolin-8-yl)acetamide

D390-1296 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(quinolin-8-yl)acetamide
D390-1296 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(quinolin-8-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D390-1296
2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(quinolin-8-yl)acetamide

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

D390-1296

Molecular Formula

C21H22N2O2 (C21 H22 N2 O2)

Compound Name

2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(quinolin-8-yl)acetamide

IUPAC name

2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(quinolin-8-yl)acetamide

SMILES

CC(C)c(ccc(C)c1)c1OCC(Nc1cccc2cccnc12)=O

InChI

InChI=1S/C21H22N2O2/c1-14(2)17-10-9-15(3)12-19(17)25-13-20(24)23-18-8-4-6-16-7-5-11-22-21(16)18/h4-12,14H,13H2,1-3H3,(H,23,24)

InChI Key

CIVHQCYUCAUCLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04090459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

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

4.985

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-4.91

Polar Surface Area

39.537

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D390-1296 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D390-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D390-1296?
Check Price and Availability of D390-1296, 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 D390-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D390-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D390-1296
  • 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 D390-1296 available by request