2368-1433 Screening compound: ethyl 4-{2,5-dimethyl-3-[(E)-{[2-(quinolin-8-yloxy)acetamido]imino}methyl]-1H-pyrrol-1-yl}benzoate

2368-1433 Screening compound: ethyl 4-{2,5-dimethyl-3-[(E)-{[2-(quinolin-8-yloxy)acetamido]imino}methyl]-1H-pyrrol-1-yl}benzoate
2368-1433 Screening compound: ethyl 4-{2,5-dimethyl-3-[(E)-{[2-(quinolin-8-yloxy)acetamido]imino}methyl]-1H-pyrrol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1433
ethyl 4-{2,5-dimethyl-3-[(E)-{[2-(quinolin-8-yloxy)acetamido]imino}methyl]-1H-pyrrol-1-yl}benzoate

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

2368-1433

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

ethyl 4-{2,5-dimethyl-3-[(E)-{[2-(quinolin-8-yloxy)acetamido]imino}methyl]-1H-pyrrol-1-yl}benzoate

IUPAC name

ethyl 4-{25-dimethyl-3-[(E)-{[2-(quinolin-8-yloxy)acetamido]imino}methyl]-1H-pyrrol-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-n1c(C)c(/C=N/NC(COc2cccc3cccnc23)=O)cc1C)=O

InChI

InChI=1S/C27H26N4O4/c1-4-34-27(33)21-10-12-23(13-11-21)31-18(2)15-22(19(31)3)16-29-30-25(32)17-35-24-9-5-7-20-8-6-14-28-26(20)24/h5-16H,4,17H2,1-3H3,(H,30,32)

InChI Key

RXGGSSAVLLGGMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01611384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-4.22

Polar Surface Area

75.878

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 2368-1433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-1433?
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What is the minimum amount of 2368-1433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-1433
  • 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 2368-1433 available by request