3795-0099 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]-3-phenylpropanamide

3795-0099 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]-3-phenylpropanamide
3795-0099 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0099
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]-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

3795-0099

Molecular Formula

C30H24N2O4 (C30 H24 N2 O4)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]-3-phenylpropanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-[4-(3-methylphenoxy)phenyl]-3-phenylpropanamide

SMILES

Cc1cccc(Oc(cc2)ccc2NC(C(Cc2ccccc2)N(C(c2c3cccc2)=O)C3=O)=O)c1

InChI

InChI=1S/C30H24N2O4/c1-20-8-7-11-24(18-20)36-23-16-14-22(15-17-23)31-28(33)27(19-21-9-3-2-4-10-21)32-29(34)25-12-5-6-13-26(25)30(32)35/h2-18,27H,19H2,1H3,(H,31,33)/t27-/m0/s1

InChI Key

RSZWDDMSYGZIDH-MHZLTWQESA-N

MDL Number (MFCD)

MFCD03198985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

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

6.612

Distribution Coefficient, logD

6.612

Water Solubility, LogSw

-5.80

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

10.00

3795-0099 in Drug Discovery

Included in Screening Libraries

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 3795-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0099?
Check Price and Availability of 3795-0099, 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 3795-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0099
  • 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 3795-0099 available by request