J078-0860 Screening compound: N-(2-fluorophenyl)-2-[2-oxo-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide

J078-0860 Screening compound: N-(2-fluorophenyl)-2-[2-oxo-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide
J078-0860 Screening compound: N-(2-fluorophenyl)-2-[2-oxo-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J078-0860
N-(2-fluorophenyl)-2-[2-oxo-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2-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

J078-0860

Molecular Formula

C27H22FN3O3 (C27 H22 FN3 O3)

Compound Name

N-(2-fluorophenyl)-2-[2-oxo-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2-dihydroquinolin-1-yl]acetamide

IUPAC name

N-(2-fluorophenyl)-2-[2-oxo-4-(1234-tetrahydroisoquinoline-2-carbonyl)-12-dihydroquinolin-1-yl]acetamide

SMILES

O=C(CN(c(cccc1)c1C(C(N(CC1)Cc2c1cccc2)=O)=C1)C1=O)Nc(cccc1)c1F

InChI

InChI=1S/C27H22FN3O3/c28-22-10-4-5-11-23(22)29-25(32)17-31-24-12-6-3-9-20(24)21(15-26(31)33)27(34)30-14-13-18-7-1-2-8-19(18)16-30/h1-12,15H,13-14,16-17H2,(H,29,32)

InChI Key

XQZNLCQJJWOYAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.322

Distribution Coefficient, logD

3.321

Water Solubility, LogSw

-3.75

Polar Surface Area

54.381

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with J078-0860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J078-0860?
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What is the minimum amount of J078-0860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J078-0860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J078-0860
  • 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 J078-0860 available by request