C167-0130 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(thiophen-2-yl)quinoline-4-carboxamide

C167-0130 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(thiophen-2-yl)quinoline-4-carboxamide
C167-0130 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(thiophen-2-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C167-0130
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(thiophen-2-yl)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

C167-0130

Molecular Formula

C22H16N2O3S (C22 H16 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(-c2cccs2)nc2ccccc12)NCc(cc1)cc2c1OCO2

InChI

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

InChI Key

DSAJGLYFKLPVRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02054910

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

5.076

Distribution Coefficient, logD

5.076

Water Solubility, LogSw

-5.21

Polar Surface Area

50.845

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C167-0130 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with C167-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C167-0130?
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What is the minimum amount of C167-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C167-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C167-0130
  • 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 C167-0130 available by request