C561-0469 Screening compound: N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)amino]-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-5-carboxamide

C561-0469 Screening compound: N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)amino]-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-5-carboxamide
C561-0469 Screening compound: N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)amino]-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0469
N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)amino]-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-5-carboxamide

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

C561-0469

Molecular Formula

C28H31N3O6 (C28 H31 N3 O6)

Compound Name

N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)amino]-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-5-carboxamide

IUPAC name

N-(34-dimethoxyphenyl)-1-[(34-dimethoxyphenyl)amino]-3-oxo-2-propyl-23-dihydro-1H-isoindole-5-carboxamide

SMILES

CCCN(C(c(cc1)c2cc1C(Nc(cc1)cc(OC)c1OC)=O)Nc(cc1)cc(OC)c1OC)C2=O

InChI

InChI=1S/C28H31N3O6/c1-6-13-31-26(29-18-8-11-22(34-2)24(15-18)36-4)20-10-7-17(14-21(20)28(31)33)27(32)30-19-9-12-23(35-3)25(16-19)37-5/h7-12,14-16,26,29H,6,13H2,1-5H3,(H,30,32)/t26-/m1/s1

InChI Key

DQNLXCLPLHZKEL-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14770183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.873

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-3.99

Polar Surface Area

78.865

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C561-0469 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C561-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0469?
Check Price and Availability of C561-0469, 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 C561-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0469
  • 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 C561-0469 available by request