3126-2006 Screening compound: 3-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-N-[2-(4-METHYLPIPERAZINE-1-CARBONYL)PHENYL]PROPANAMIDE

3126-2006 Screening compound: 3-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-N-[2-(4-METHYLPIPERAZINE-1-CARBONYL)PHENYL]PROPANAMIDE
3126-2006 Screening compound: 3-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-N-[2-(4-METHYLPIPERAZINE-1-CARBONYL)PHENYL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3126-2006
3-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-N-[2-(4-METHYLPIPERAZINE-1-CARBONYL)PHENYL]PROPANAMIDE

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

3126-2006

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

3-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-N-[2-(4-METHYLPIPERAZINE-1-CARBONYL)PHENYL]PROPANAMIDE

IUPAC name

3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

SMILES

CN(CC1)CCN1C(c(cccc1)c1NC(CCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C23H24N4O4/c1-25-12-14-26(15-13-25)21(29)18-8-4-5-9-19(18)24-20(28)10-11-27-22(30)16-6-2-3-7-17(16)23(27)31/h2-9H,10-15H2,1H3,(H,24,28)

InChI Key

KZJDTOUJFKVRHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.080

Distribution Coefficient, logD

0.943

Water Solubility, LogSw

-2.24

Polar Surface Area

72.046

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

3126-2006 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3126-2006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3126-2006?
Check Price and Availability of 3126-2006, 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 3126-2006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3126-2006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3126-2006
  • 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 3126-2006 available by request