1755-0008 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)propanamide

1755-0008 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)propanamide
1755-0008 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1755-0008
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)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

1755-0008

Molecular Formula

C25H21N3O5 (C25 H21 N3 O5)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)propanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)propanamide

SMILES

Cc1ccc(CNC(C(Cc(cc2)ccc2[N+]([O-])=O)N(C(c2c3cccc2)=O)C3=O)=O)cc1

InChI

InChI=1S/C25H21N3O5/c1-16-6-8-18(9-7-16)15-26-23(29)22(14-17-10-12-19(13-11-17)28(32)33)27-24(30)20-4-2-3-5-21(20)25(27)31/h2-13,22H,14-15H2,1H3,(H,26,29)/t22-/m0/s1

InChI Key

LOWFALSFHFMHSZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00845212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.438

Distribution Coefficient, logD

4.438

Water Solubility, LogSw

-4.54

Polar Surface Area

86.212

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

1755-0008 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1755-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1755-0008?
Check Price and Availability of 1755-0008, 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 1755-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1755-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1755-0008
  • 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 1755-0008 available by request