J042-0121 Screening compound: 1-benzoyl-N-(4-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0121 Screening compound: 1-benzoyl-N-(4-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0121 Screening compound: 1-benzoyl-N-(4-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0121
1-benzoyl-N-(4-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

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

J042-0121

Molecular Formula

C23H18BrFN2O2 (C23 H18 BrFN2 O2)

Compound Name

1-benzoyl-N-(4-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

1-benzoyl-N-(4-bromo-2-fluorophenyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

O=C(c(cc1)cc(CCC2)c1N2C(c1ccccc1)=O)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C23H18BrFN2O2/c24-18-9-10-20(19(25)14-18)26-22(28)17-8-11-21-16(13-17)7-4-12-27(21)23(29)15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,26,28)

InChI Key

FELQTTUQXIIANV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.119

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-5.32

Polar Surface Area

37.945

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

J042-0121 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with J042-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0121?
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What is the minimum amount of J042-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0121
  • 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 J042-0121 available by request