C447-1489 Screening compound: ethyl 4-(7-{[(2-methoxyphenyl)methyl]carbamoyl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

C447-1489 Screening compound: ethyl 4-(7-{[(2-methoxyphenyl)methyl]carbamoyl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
C447-1489 Screening compound: ethyl 4-(7-{[(2-methoxyphenyl)methyl]carbamoyl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-1489
ethyl 4-(7-{[(2-methoxyphenyl)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

C447-1489

Molecular Formula

C25H29N3O5 (C25 H29 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCC1N(Cc1cccc(C(NCc(cccc2)c2OC)=O)c11)C1=O)=O

InChI

InChI=1S/C25H29N3O5/c1-3-33-25(31)27-13-11-19(12-14-27)28-16-18-8-6-9-20(22(18)24(28)30)23(29)26-15-17-7-4-5-10-21(17)32-2/h4-10,19H,3,11-16H2,1-2H3,(H,26,29)

InChI Key

BITHLRQCOIBQNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758838

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

3.728

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-4.08

Polar Surface Area

71.096

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C447-1489 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 C447-1489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-1489?
Check Price and Availability of C447-1489, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C447-1489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-1489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-1489
  • 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 C447-1489 available by request