J042-0417 Screening compound: 1-(4-chlorobenzoyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0417 Screening compound: 1-(4-chlorobenzoyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0417 Screening compound: 1-(4-chlorobenzoyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0417
1-(4-chlorobenzoyl)-N-(2-phenylethyl)-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

J042-0417

Molecular Formula

C25H23ClN2O2 (C25 H23 ClN2 O2)

Compound Name

1-(4-chlorobenzoyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

1-(4-chlorobenzoyl)-N-(2-phenylethyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

O=C(c(cc1)cc(CCC2)c1N2C(c(cc1)ccc1Cl)=O)NCCc1ccccc1

InChI

InChI=1S/C25H23ClN2O2/c26-22-11-8-19(9-12-22)25(30)28-16-4-7-20-17-21(10-13-23(20)28)24(29)27-15-14-18-5-2-1-3-6-18/h1-3,5-6,8-13,17H,4,7,14-16H2,(H,27,29)

InChI Key

SEDNGPFTIZHVAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.539

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-4.80

Polar Surface Area

39.806

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J042-0417 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with J042-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0417?
Check Price and Availability of J042-0417, 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 J042-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0417
  • 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 J042-0417 available by request