3795-0077 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)-3-phenylpropanamide

3795-0077 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)-3-phenylpropanamide
3795-0077 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0077
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)-3-phenylpropanamide

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

3795-0077

Molecular Formula

C29H22N2O4 (C29 H22 N2 O4)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)-3-phenylpropanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)N(C(c1c2cccc1)=O)C2=O)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C29H22N2O4/c32-27(30-21-15-17-23(18-16-21)35-22-11-5-2-6-12-22)26(19-20-9-3-1-4-10-20)31-28(33)24-13-7-8-14-25(24)29(31)34/h1-18,26H,19H2,(H,30,32)/t26-/m0/s1

InChI Key

OHNNFUWYOHXMRE-SANMLTNESA-N

MDL Number (MFCD)

MFCD02914485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.178

Distribution Coefficient, logD

6.178

Water Solubility, LogSw

-5.99

Polar Surface Area

58.256

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.90

3795-0077 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3795-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0077?
Check Price and Availability of 3795-0077, 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 3795-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0077
  • 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 3795-0077 available by request