C561-0516 Screening compound: 1-(4-ETHYLANILINO)-N-(4-ETHYLPHENYL)-2-(2-METHOXYETHYL)-3-OXO-5-ISOINDOLINECARBOXAMIDE

C561-0516 Screening compound: 1-(4-ETHYLANILINO)-N-(4-ETHYLPHENYL)-2-(2-METHOXYETHYL)-3-OXO-5-ISOINDOLINECARBOXAMIDE
C561-0516 Screening compound: 1-(4-ETHYLANILINO)-N-(4-ETHYLPHENYL)-2-(2-METHOXYETHYL)-3-OXO-5-ISOINDOLINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0516
1-(4-ETHYLANILINO)-N-(4-ETHYLPHENYL)-2-(2-METHOXYETHYL)-3-OXO-5-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

C561-0516

Molecular Formula

C28H31N3O3 (C28 H31 N3 O3)

Compound Name

1-(4-ETHYLANILINO)-N-(4-ETHYLPHENYL)-2-(2-METHOXYETHYL)-3-OXO-5-ISOINDOLINECARBOXAMIDE

IUPAC name

n/a

SMILES

CCc(cc1)ccc1NC(c(cc1)c2cc1C(Nc1ccc(CC)cc1)=O)N(CCOC)C2=O

InChI

InChI=1S/C28H31N3O3/c1-4-19-6-11-22(12-7-19)29-26-24-15-10-21(18-25(24)28(33)31(26)16-17-34-3)27(32)30-23-13-8-20(5-2)9-14-23/h6-15,18,26,29H,4-5,16-17H2,1-3H3,(H,30,32)/t26-/m1/s1

InChI Key

YFWODFJBMKEODW-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14770197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.920

Distribution Coefficient, logD

5.919

Water Solubility, LogSw

-5.48

Polar Surface Area

56.686

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

C561-0516 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C561-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0516?
Check Price and Availability of C561-0516, 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 C561-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0516
  • 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 C561-0516 available by request