4157-0371 Screening compound: 2,2,4-trimethyl-1-(3-methylbenzoyl)-1,2-dihydroquinolin-6-yl 4-fluorobenzoate

4157-0371 Screening compound: 2,2,4-trimethyl-1-(3-methylbenzoyl)-1,2-dihydroquinolin-6-yl 4-fluorobenzoate
4157-0371 Screening compound: 2,2,4-trimethyl-1-(3-methylbenzoyl)-1,2-dihydroquinolin-6-yl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4157-0371
2,2,4-trimethyl-1-(3-methylbenzoyl)-1,2-dihydroquinolin-6-yl 4-fluorobenzoate

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

4157-0371

Molecular Formula

C27H24FNO3 (C27 H24 FNO3)

Compound Name

2,2,4-trimethyl-1-(3-methylbenzoyl)-1,2-dihydroquinolin-6-yl 4-fluorobenzoate

IUPAC name

224-trimethyl-1-(3-methylbenzoyl)-12-dihydroquinolin-6-yl 4-fluorobenzoate

SMILES

CC1(C)N(C(c2cc(C)ccc2)=O)c(ccc(OC(c(cc2)ccc2F)=O)c2)c2C(C)=C1

InChI

InChI=1S/C27H24FNO3/c1-17-6-5-7-20(14-17)25(30)29-24-13-12-22(15-23(24)18(2)16-27(29,3)4)32-26(31)19-8-10-21(28)11-9-19/h5-16H,1-4H3

InChI Key

VUXUBGRWFYWMNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.956

Distribution Coefficient, logD

5.956

Water Solubility, LogSw

-5.59

Polar Surface Area

34.702

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 4157-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-0371?
Check Price and Availability of 4157-0371, 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 4157-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-0371
  • 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 4157-0371 available by request