C387-1353 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide

C387-1353 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide
C387-1353 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-1353
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[(3,5-dimethylphenyl)amino]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

C387-1353

Molecular Formula

C27H25N3O3 (C27 H25 N3 O3)

Compound Name

N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-2-[(35-dimethylphenyl)amino]quinoline-4-carboxamide

SMILES

Cc1cc(Nc2nc3ccccc3c(C(NCC3Oc(cccc4)c4OC3)=O)c2)cc(C)c1

InChI

InChI=1S/C27H25N3O3/c1-17-11-18(2)13-19(12-17)29-26-14-22(21-7-3-4-8-23(21)30-26)27(31)28-15-20-16-32-24-9-5-6-10-25(24)33-20/h3-14,20H,15-16H2,1-2H3,(H,28,31)(H,29,30)/t20-/m0/s1

InChI Key

WCIHGFUKPNKGHF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14755586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.920

Distribution Coefficient, logD

5.907

Water Solubility, LogSw

-5.74

Polar Surface Area

58.141

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

C387-1353 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C387-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-1353?
Check Price and Availability of C387-1353, 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 C387-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-1353
  • 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 C387-1353 available by request