C647-0802 Screening compound: N-(4-ethoxyphenyl)-2-[6-ethyl-3-(4-fluorobenzoyl)-4-oxo-1,4-dihydroquinolin-1-yl]acetamide

C647-0802 Screening compound: N-(4-ethoxyphenyl)-2-[6-ethyl-3-(4-fluorobenzoyl)-4-oxo-1,4-dihydroquinolin-1-yl]acetamide
C647-0802 Screening compound: N-(4-ethoxyphenyl)-2-[6-ethyl-3-(4-fluorobenzoyl)-4-oxo-1,4-dihydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C647-0802
N-(4-ethoxyphenyl)-2-[6-ethyl-3-(4-fluorobenzoyl)-4-oxo-1,4-dihydroquinolin-1-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

C647-0802

Molecular Formula

C28H25FN2O4 (C28 H25 FN2 O4)

Compound Name

N-(4-ethoxyphenyl)-2-[6-ethyl-3-(4-fluorobenzoyl)-4-oxo-1,4-dihydroquinolin-1-yl]acetamide

IUPAC name

N-(4-ethoxyphenyl)-2-[6-ethyl-3-(4-fluorobenzoyl)-4-oxo-14-dihydroquinolin-1-yl]acetamide

SMILES

CCc(cc1)cc2c1N(CC(Nc(cc1)ccc1OCC)=O)C=C(C(c(cc1)ccc1F)=O)C2=O

InChI

InChI=1S/C28H25FN2O4/c1-3-18-5-14-25-23(15-18)28(34)24(27(33)19-6-8-20(29)9-7-19)16-31(25)17-26(32)30-21-10-12-22(13-11-21)35-4-2/h5-16H,3-4,17H2,1-2H3,(H,30,32)

InChI Key

BRHXLUFFYCIDGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.173

Distribution Coefficient, logD

5.173

Water Solubility, LogSw

-4.99

Polar Surface Area

59.302

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C647-0802 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C647-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C647-0802?
Check Price and Availability of C647-0802, 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 C647-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C647-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C647-0802
  • 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 C647-0802 available by request