C448-0446 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C448-0446 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C448-0446 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-0446
N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-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

C448-0446

Molecular Formula

C20H15BrN2O3S (C20 H15 BrN2 O3 S)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide

SMILES

COc(cc1)c(CNC(c2cc(C(Nc3c-4cccc3)=O)c4s2)=O)cc1Br

InChI

InChI=1S/C20H15BrN2O3S/c1-26-16-7-6-12(21)8-11(16)10-22-20(25)17-9-14-18(27-17)13-4-2-3-5-15(13)23-19(14)24/h2-9H,10H2,1H3,(H,22,25)(H,23,24)

InChI Key

COABRUYUOYJWJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.41

Polar Surface Area

57.907

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C448-0446 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C448-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-0446?
Check Price and Availability of C448-0446, 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 C448-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-0446
  • 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 C448-0446 available by request