C429-0352 Screening compound: ethyl 4-{1-oxo-3-[(3,4,5-trimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

C429-0352 Screening compound: ethyl 4-{1-oxo-3-[(3,4,5-trimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate
C429-0352 Screening compound: ethyl 4-{1-oxo-3-[(3,4,5-trimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0352
ethyl 4-{1-oxo-3-[(3,4,5-trimethoxyphenyl)amino]-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

C429-0352

Molecular Formula

C25H31N3O6 (C25 H31 N3 O6)

Compound Name

ethyl 4-{1-oxo-3-[(3,4,5-trimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

IUPAC name

ethyl 4-{1-oxo-3-[(345-trimethoxyphenyl)amino]-23-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1N(C(c1c2cccc1)Nc(cc1OC)cc(OC)c1OC)C2=O)=O

InChI

InChI=1S/C25H31N3O6/c1-5-34-25(30)27-12-10-17(11-13-27)28-23(18-8-6-7-9-19(18)24(28)29)26-16-14-20(31-2)22(33-4)21(15-16)32-3/h6-9,14-15,17,23,26H,5,10-13H2,1-4H3/t23-/m1/s1

InChI Key

JNASXWCREWOTJQ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14756097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.176

Distribution Coefficient, logD

3.176

Water Solubility, LogSw

-3.51

Polar Surface Area

69.982

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C429-0352 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C429-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0352?
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What is the minimum amount of C429-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0352
  • 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 C429-0352 available by request