3807-0259 Screening compound: (4-fluorophenyl)[2,2,4-trimethyl-1(2H)-quinolinyl]methanone

3807-0259 Screening compound: (4-fluorophenyl)[2,2,4-trimethyl-1(2H)-quinolinyl]methanone
3807-0259 Screening compound: (4-fluorophenyl)[2,2,4-trimethyl-1(2H)-quinolinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-0259
(4-fluorophenyl)[2,2,4-trimethyl-1(2H)-quinolinyl]methanone

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

3807-0259

Molecular Formula

C19H18FNO (C19 H18 FNO)

Compound Name

(4-fluorophenyl)[2,2,4-trimethyl-1(2H)-quinolinyl]methanone

IUPAC name

1-(4-fluorobenzoyl)-224-trimethyl-12-dihydroquinoline

SMILES

CC1(C)N(C(c(cc2)ccc2F)=O)c(cccc2)c2C(C)=C1

InChI

InChI=1S/C19H18FNO/c1-13-12-19(2,3)21(17-7-5-4-6-16(13)17)18(22)14-8-10-15(20)11-9-14/h4-12H,1-3H3

InChI Key

KZMKLRCQHKEHNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00621859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.452

Distribution Coefficient, logD

4.452

Water Solubility, LogSw

-4.47

Polar Surface Area

14.324

Acid Dissociation Constant (pKa)

29.90

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

3807-0259 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3807-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-0259?
Check Price and Availability of 3807-0259, 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 3807-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-0259
  • 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 3807-0259 available by request