3126-2004 Screening compound: N,N-dibenzyl-2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzamide

3126-2004 Screening compound: N,N-dibenzyl-2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzamide
3126-2004 Screening compound: N,N-dibenzyl-2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3126-2004
N,N-dibenzyl-2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzamide

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

3126-2004

Molecular Formula

C32H27N3O4 (C32 H27 N3 O4)

Compound Name

N,N-dibenzyl-2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzamide

IUPAC name

NN-dibenzyl-2-[3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanamido]benzamide

SMILES

O=C(CCN(C(c1c2cccc1)=O)C2=O)Nc(cccc1)c1C(N(Cc1ccccc1)Cc1ccccc1)=O

InChI

InChI=1S/C32H27N3O4/c36-29(19-20-35-31(38)25-15-7-8-16-26(25)32(35)39)33-28-18-10-9-17-27(28)30(37)34(21-23-11-3-1-4-12-23)22-24-13-5-2-6-14-24/h1-18H,19-22H2,(H,33,36)

InChI Key

OCTBCFANJYDDTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02634584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.235

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.30

Polar Surface Area

67.861

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3126-2004 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3126-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3126-2004?
Check Price and Availability of 3126-2004, 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 3126-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3126-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3126-2004
  • 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 3126-2004 available by request