C447-1459 Screening compound: ethyl 4-(7-{[(4-methylphenyl)methyl]carbamoyl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

C447-1459 Screening compound: ethyl 4-(7-{[(4-methylphenyl)methyl]carbamoyl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
C447-1459 Screening compound: ethyl 4-(7-{[(4-methylphenyl)methyl]carbamoyl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-1459
ethyl 4-(7-{[(4-methylphenyl)methyl]carbamoyl}-1-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

C447-1459

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

ethyl 4-(7-{[(4-methylphenyl)methyl]carbamoyl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

IUPAC name

ethyl 4-(7-{[(4-methylphenyl)methyl]carbamoyl}-1-oxo-23-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1N(Cc1cccc(C(NCc2ccc(C)cc2)=O)c11)C1=O)=O

InChI

InChI=1S/C25H29N3O4/c1-3-32-25(31)27-13-11-20(12-14-27)28-16-19-5-4-6-21(22(19)24(28)30)23(29)26-15-18-9-7-17(2)8-10-18/h4-10,20H,3,11-16H2,1-2H3,(H,26,29)

InChI Key

SBFFQTUKPKGDRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

3.930

Water Solubility, LogSw

-4.01

Polar Surface Area

63.466

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C447-1459 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C447-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-1459?
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What is the minimum amount of C447-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-1459
  • 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 C447-1459 available by request