C257-0240 Screening compound: 2-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-isoindole-1-carboxamide

C257-0240 Screening compound: 2-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-isoindole-1-carboxamide
C257-0240 Screening compound: 2-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C257-0240
2-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-isoindole-1-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

C257-0240

Molecular Formula

C29H32N2O4 (C29 H32 N2 O4)

Compound Name

2-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-isoindole-1-carboxamide

IUPAC name

2-[2-(34-diethoxyphenyl)ethyl]-3-oxo-N-(2-phenylethyl)-23-dihydro-1H-isoindole-1-carboxamide

SMILES

CCOc(ccc(CCN(C(C(NCCc1ccccc1)=O)c1c2cccc1)C2=O)c1)c1OCC

InChI

InChI=1S/C29H32N2O4/c1-3-34-25-15-14-22(20-26(25)35-4-2)17-19-31-27(23-12-8-9-13-24(23)29(31)33)28(32)30-18-16-21-10-6-5-7-11-21/h5-15,20,27H,3-4,16-19H2,1-2H3,(H,30,32)/t27-/m0/s1

InChI Key

GOOOBLMEAHPRFK-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14736644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.859

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-3.94

Polar Surface Area

54.942

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

C257-0240 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Cyclic Ugi PPI Library (9586 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C257-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C257-0240?
Check Price and Availability of C257-0240, 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 C257-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C257-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C257-0240
  • 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 C257-0240 available by request