C387-0489 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)amino]quinoline-4-carboxamide

C387-0489 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)amino]quinoline-4-carboxamide
C387-0489 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-0489
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)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

C387-0489

Molecular Formula

C28H29N3O3 (C28 H29 N3 O3)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)amino]quinoline-4-carboxamide

SMILES

CCc(cccc1)c1Nc1nc2ccccc2c(C(NCCc(cc2)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C28H29N3O3/c1-4-20-9-5-7-11-23(20)30-27-18-22(21-10-6-8-12-24(21)31-27)28(32)29-16-15-19-13-14-25(33-2)26(17-19)34-3/h5-14,17-18H,4,15-16H2,1-3H3,(H,29,32)(H,30,31)

InChI Key

NOSLHWRIYUQJEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.587

Distribution Coefficient, logD

5.586

Water Solubility, LogSw

-5.67

Polar Surface Area

56.867

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C387-0489 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C387-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-0489?
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What is the minimum amount of C387-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-0489
  • 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 C387-0489 available by request