E683-0045 Screening compound: 2,3-dimethoxy-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}benzamide

E683-0045 Screening compound: 2,3-dimethoxy-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}benzamide
E683-0045 Screening compound: 2,3-dimethoxy-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E683-0045
2,3-dimethoxy-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}benzamide

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

E683-0045

Molecular Formula

C26H25N3O4 (C26 H25 N3 O4)

Compound Name

2,3-dimethoxy-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}benzamide

IUPAC name

23-dimethoxy-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}benzamide

SMILES

Cc1c(cc(cc2)NC(c(cccc3OC)c3OC)=O)c2nc(Nc(cc2)ccc2OC)c1

InChI

InChI=1S/C26H25N3O4/c1-16-14-24(27-17-8-11-19(31-2)12-9-17)29-22-13-10-18(15-21(16)22)28-26(30)20-6-5-7-23(32-3)25(20)33-4/h5-15H,1-4H3,(H,27,29)(H,28,30)

InChI Key

JMJJHZSFFXFIOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.600

Distribution Coefficient, logD

5.592

Water Solubility, LogSw

-5.64

Polar Surface Area

64.031

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E683-0045 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with E683-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E683-0045?
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What is the minimum amount of E683-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E683-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E683-0045
  • 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 E683-0045 available by request