C447-0586 Screening compound: ethyl 3-[(3-oxo-2-propyl-2,3-dihydro-1H-isoindol-4-yl)formamido]-3-[4-(propan-2-yloxy)phenyl]propanoate

C447-0586 Screening compound: ethyl 3-[(3-oxo-2-propyl-2,3-dihydro-1H-isoindol-4-yl)formamido]-3-[4-(propan-2-yloxy)phenyl]propanoate
C447-0586 Screening compound: ethyl 3-[(3-oxo-2-propyl-2,3-dihydro-1H-isoindol-4-yl)formamido]-3-[4-(propan-2-yloxy)phenyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-0586
ethyl 3-[(3-oxo-2-propyl-2,3-dihydro-1H-isoindol-4-yl)formamido]-3-[4-(propan-2-yloxy)phenyl]propanoate

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

C447-0586

Molecular Formula

C26H32N2O5 (C26 H32 N2 O5)

Compound Name

ethyl 3-[(3-oxo-2-propyl-2,3-dihydro-1H-isoindol-4-yl)formamido]-3-[4-(propan-2-yloxy)phenyl]propanoate

IUPAC name

ethyl 3-[(3-oxo-2-propyl-23-dihydro-1H-isoindol-4-yl)formamido]-3-[4-(propan-2-yloxy)phenyl]propanoate

SMILES

CCCN(Cc1cccc(C(NC(CC(OCC)=O)c(cc2)ccc2OC(C)C)=O)c11)C1=O

InChI

InChI=1S/C26H32N2O5/c1-5-14-28-16-19-8-7-9-21(24(19)26(28)31)25(30)27-22(15-23(29)32-6-2)18-10-12-20(13-11-18)33-17(3)4/h7-13,17,22H,5-6,14-16H2,1-4H3,(H,27,30)/t22-/m0/s1

InChI Key

JKDHFCOVVSMONC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14758654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.21

Polar Surface Area

68.140

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

-4.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

C447-0586 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C447-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-0586?
Check Price and Availability of C447-0586, 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 C447-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-0586
  • 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 C447-0586 available by request