4477-0580 Screening compound: 3-fluoro-N-(1-hexanoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzamide

4477-0580 Screening compound: 3-fluoro-N-(1-hexanoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzamide
4477-0580 Screening compound: 3-fluoro-N-(1-hexanoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0580
3-fluoro-N-(1-hexanoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzamide

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

4477-0580

Molecular Formula

C29H31FN2O2 (C29 H31 FN2 O2)

Compound Name

3-fluoro-N-(1-hexanoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzamide

IUPAC name

3-fluoro-N-(1-hexanoyl-2-methyl-1234-tetrahydroquinolin-4-yl)-N-phenylbenzamide

SMILES

CCCCCC(N(C(C)CC1N(C(c2cccc(F)c2)=O)c2ccccc2)c2c1cccc2)=O

InChI

InChI=1S/C29H31FN2O2/c1-3-4-6-18-28(33)31-21(2)19-27(25-16-9-10-17-26(25)31)32(24-14-7-5-8-15-24)29(34)22-12-11-13-23(30)20-22/h5,7-17,20-21,27H,3-4,6,18-19H2,1-2H3

InChI Key

ZGIFHBGXHOMSAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.199

Distribution Coefficient, logD

6.199

Water Solubility, LogSw

-5.37

Polar Surface Area

28.211

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with 4477-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0580?
Check Price and Availability of 4477-0580, 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 4477-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0580
  • 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 4477-0580 available by request