3235-0095 Screening compound: N,N-dibenzyl-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

3235-0095 Screening compound: N,N-dibenzyl-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamide
3235-0095 Screening compound: N,N-dibenzyl-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3235-0095
N,N-dibenzyl-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

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

3235-0095

Molecular Formula

C26H24N2O3 (C26 H24 N2 O3)

Compound Name

N,N-dibenzyl-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

IUPAC name

NN-dibenzyl-4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)butanamide

SMILES

O=C(CCCN(C(c1c2cccc1)=O)C2=O)N(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C26H24N2O3/c29-24(16-9-17-28-25(30)22-14-7-8-15-23(22)26(28)31)27(18-20-10-3-1-4-11-20)19-21-12-5-2-6-13-21/h1-8,10-15H,9,16-19H2

InChI Key

LFJUWTXWVDLQDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02049995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.61

Polar Surface Area

45.153

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

3235-0095 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 3235-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3235-0095?
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What is the minimum amount of 3235-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3235-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3235-0095
  • 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 3235-0095 available by request