C387-0282 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[(2,4-dimethoxyphenyl)amino]quinoline-4-carboxamide

C387-0282 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[(2,4-dimethoxyphenyl)amino]quinoline-4-carboxamide
C387-0282 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[(2,4-dimethoxyphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-0282
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[(2,4-dimethoxyphenyl)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

C387-0282

Molecular Formula

C27H25N3O5 (C27 H25 N3 O5)

Compound Name

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

IUPAC name

N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-2-[(24-dimethoxyphenyl)amino]quinoline-4-carboxamide

SMILES

COc(cc1)cc(OC)c1Nc1nc2ccccc2c(C(NCC2Oc(cccc3)c3OC2)=O)c1

InChI

InChI=1S/C27H25N3O5/c1-32-17-11-12-22(25(13-17)33-2)30-26-14-20(19-7-3-4-8-21(19)29-26)27(31)28-15-18-16-34-23-9-5-6-10-24(23)35-18/h3-14,18H,15-16H2,1-2H3,(H,28,31)(H,29,30)/t18-/m0/s1

InChI Key

XAPQGIYNBULENC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14755359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.245

Distribution Coefficient, logD

5.232

Water Solubility, LogSw

-5.34

Polar Surface Area

72.618

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

C387-0282 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C387-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-0282?
Check Price and Availability of C387-0282, 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 C387-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-0282
  • 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 C387-0282 available by request