J042-0256 Screening compound: 1-(4-methylbenzoyl)-6-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroquinoline

J042-0256 Screening compound: 1-(4-methylbenzoyl)-6-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroquinoline
J042-0256 Screening compound: 1-(4-methylbenzoyl)-6-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0256
1-(4-methylbenzoyl)-6-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroquinoline

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

J042-0256

Molecular Formula

C22H24N2O2 (C22 H24 N2 O2)

Compound Name

1-(4-methylbenzoyl)-6-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(4-methylbenzoyl)-6-(pyrrolidine-1-carbonyl)-1234-tetrahydroquinoline

SMILES

Cc(cc1)ccc1C(N(CCC1)c(cc2)c1cc2C(N1CCCC1)=O)=O

InChI

InChI=1S/C22H24N2O2/c1-16-6-8-17(9-7-16)22(26)24-14-4-5-18-15-19(10-11-20(18)24)21(25)23-12-2-3-13-23/h6-11,15H,2-5,12-14H2,1H3

InChI Key

YGGUXWGXXYJKJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

3.478

Water Solubility, LogSw

-3.65

Polar Surface Area

32.566

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

J042-0256 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J042-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0256?
Check Price and Availability of J042-0256, 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 J042-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0256
  • 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 J042-0256 available by request