C066-4171 Screening compound: N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)-2-propylpentanamide

C066-4171 Screening compound: N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)-2-propylpentanamide
C066-4171 Screening compound: N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)-2-propylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4171
N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)-2-propylpentanamide

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

C066-4171

Molecular Formula

C25H28F3N3O (C25 H28 F3 N3 O)

Compound Name

N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)-2-propylpentanamide

IUPAC name

N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)-2-propylpentanamide

SMILES

CCCC(CCC)C(Nc(cc1c(C)c2)ccc1nc2Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C25H28F3N3O/c1-4-7-17(8-5-2)24(32)30-20-11-12-22-21(15-20)16(3)13-23(31-22)29-19-10-6-9-18(14-19)25(26,27)28/h6,9-15,17H,4-5,7-8H2,1-3H3,(H,29,31)(H,30,32)

InChI Key

AAPHIHMNBSNSPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.102

Distribution Coefficient, logD

8.099

Water Solubility, LogSw

-5.78

Polar Surface Area

41.411

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C066-4171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4171?
Check Price and Availability of C066-4171, 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 C066-4171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4171
  • 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 C066-4171 available by request