6048-0480 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]quinoline-4-carboxamide

6048-0480 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]quinoline-4-carboxamide
6048-0480 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0480
2-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]quinoline-4-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

6048-0480

Molecular Formula

C22H16N2O3S (C22 H16 N2 O3 S)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]quinoline-4-carboxamide

IUPAC name

2-(2H-13-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]quinoline-4-carboxamide

SMILES

O=C(c1cc(-c(cc2)cc3c2OCO3)nc2ccccc12)NCc1cccs1

InChI

InChI=1S/C22H16N2O3S/c25-22(23-12-15-4-3-9-28-15)17-11-19(24-18-6-2-1-5-16(17)18)14-7-8-20-21(10-14)27-13-26-20/h1-11H,12-13H2,(H,23,25)

InChI Key

NPMAUCPTVZSZQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03391751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.293

Distribution Coefficient, logD

5.292

Water Solubility, LogSw

-5.94

Polar Surface Area

50.845

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

6048-0480 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 6048-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0480?
Check Price and Availability of 6048-0480, 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 6048-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0480
  • 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 6048-0480 available by request