J042-0200 Screening compound: 1-(4-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0200 Screening compound: 1-(4-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0200 Screening compound: 1-(4-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0200
1-(4-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-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

J042-0200

Molecular Formula

C23H26N2O3 (C23 H26 N2 O3)

Compound Name

1-(4-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

1-(4-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-1234-tetrahydroquinoline-6-carboxamide

SMILES

Cc(cc1)ccc1C(N(CCC1)c(cc2)c1cc2C(NCC1OCCC1)=O)=O

InChI

InChI=1S/C23H26N2O3/c1-16-6-8-17(9-7-16)23(27)25-12-2-4-18-14-19(10-11-21(18)25)22(26)24-15-20-5-3-13-28-20/h6-11,14,20H,2-5,12-13,15H2,1H3,(H,24,26)/t20-/m1/s1

InChI Key

DYVQKFXJUIBTLX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27221854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.985

Distribution Coefficient, logD

2.985

Water Solubility, LogSw

-3.36

Polar Surface Area

48.619

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

J042-0200 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with J042-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0200?
Check Price and Availability of J042-0200, 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 J042-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0200
  • 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 J042-0200 available by request