C429-0359 Screening compound: ethyl 4-(1-{[4-(ethoxycarbonyl)phenyl]amino}-3-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

C429-0359 Screening compound: ethyl 4-(1-{[4-(ethoxycarbonyl)phenyl]amino}-3-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
C429-0359 Screening compound: ethyl 4-(1-{[4-(ethoxycarbonyl)phenyl]amino}-3-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0359
ethyl 4-(1-{[4-(ethoxycarbonyl)phenyl]amino}-3-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

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

C429-0359

Molecular Formula

C25H29N3O5 (C25 H29 N3 O5)

Compound Name

ethyl 4-(1-{[4-(ethoxycarbonyl)phenyl]amino}-3-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

IUPAC name

ethyl 4-(1-{[4-(ethoxycarbonyl)phenyl]amino}-3-oxo-23-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

SMILES

CCOC(c(cc1)ccc1NC(c1c2cccc1)N(C(CC1)CCN1C(OCC)=O)C2=O)=O

InChI

InChI=1S/C25H29N3O5/c1-3-32-24(30)17-9-11-18(12-10-17)26-22-20-7-5-6-8-21(20)23(29)28(22)19-13-15-27(16-14-19)25(31)33-4-2/h5-12,19,22,26H,3-4,13-16H2,1-2H3/t22-/m1/s1

InChI Key

HAQVCXPYABTZDN-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14756103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.532

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.12

Polar Surface Area

67.757

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C429-0359 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C429-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0359?
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What is the minimum amount of C429-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0359
  • 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 C429-0359 available by request