C447-0821 Screening compound: N~4~-(2-furylmethyl)-2-(2-methoxyethyl)-3-oxo-4-isoindolinecarboxamide

C447-0821 Screening compound: N~4~-(2-furylmethyl)-2-(2-methoxyethyl)-3-oxo-4-isoindolinecarboxamide
C447-0821 Screening compound: N~4~-(2-furylmethyl)-2-(2-methoxyethyl)-3-oxo-4-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-0821
N~4~-(2-furylmethyl)-2-(2-methoxyethyl)-3-oxo-4-isoindolinecarboxamide

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

C447-0821

Molecular Formula

C17H18N2O4 (C17 H18 N2 O4)

Compound Name

N~4~-(2-furylmethyl)-2-(2-methoxyethyl)-3-oxo-4-isoindolinecarboxamide

IUPAC name

N-[(furan-2-yl)methyl]-2-(2-methoxyethyl)-3-oxo-23-dihydro-1H-isoindole-4-carboxamide

SMILES

COCCN(Cc1cccc(C(NCc2ccco2)=O)c11)C1=O

InChI

InChI=1S/C17H18N2O4/c1-22-9-7-19-11-12-4-2-6-14(15(12)17(19)21)16(20)18-10-13-5-3-8-23-13/h2-6,8H,7,9-11H2,1H3,(H,18,20)

InChI Key

YMJZXCCOCYCFBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.998

Distribution Coefficient, logD

1.998

Water Solubility, LogSw

-2.74

Polar Surface Area

57.639

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

C447-0821 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C447-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-0821?
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What is the minimum amount of C447-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-0821
  • 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 C447-0821 available by request