0812-1036 Screening compound: N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-4-nitrobenzamide

0812-1036 Screening compound: N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-4-nitrobenzamide
0812-1036 Screening compound: N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0812-1036
N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-4-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

0812-1036

Molecular Formula

C21H13N3O5 (C21 H13 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1C(Nc(cc1)ccc1N(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C21H13N3O5/c25-19(13-5-9-16(10-6-13)24(28)29)22-14-7-11-15(12-8-14)23-20(26)17-3-1-2-4-18(17)21(23)27/h1-12H,(H,22,25)

InChI Key

GUBZTPHPPROGHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-3.93

Polar Surface Area

85.353

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0812-1036 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 0812-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0812-1036?
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What is the minimum amount of 0812-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0812-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0812-1036
  • 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 0812-1036 available by request