0800-0752 Screening compound: N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-2-nitrobenzamide

0800-0752 Screening compound: N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-2-nitrobenzamide
0800-0752 Screening compound: N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0752
N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-2-nitrobenzamide

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

0800-0752

Molecular Formula

C26H23N3O5 (C26 H23 N3 O5)

Compound Name

N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-2-nitrobenzamide

IUPAC name

N-[4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-2-nitrobenzamide

SMILES

Cc(cc1)ccc1N(CCCCN(C(c1c2cccc1)=O)C2=O)C(c(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C26H23N3O5/c1-18-12-14-19(15-13-18)27(26(32)22-10-4-5-11-23(22)29(33)34)16-6-7-17-28-24(30)20-8-2-3-9-21(20)25(28)31/h2-5,8-15H,6-7,16-17H2,1H3

InChI Key

ZPPIOGRYNFGKSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.291

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.42

Polar Surface Area

78.151

Acid Dissociation Constant (pKa)

27.21

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

0800-0752 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0800-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0752?
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What is the minimum amount of 0800-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0752
  • 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 0800-0752 available by request