8017-4279 Screening compound: 2-(2-chloro-5-nitrobenzyl)-1H-isoindole-1,3(2H)-dione

8017-4279 Screening compound: 2-(2-chloro-5-nitrobenzyl)-1H-isoindole-1,3(2H)-dione
8017-4279 Screening compound: 2-(2-chloro-5-nitrobenzyl)-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4279
2-(2-chloro-5-nitrobenzyl)-1H-isoindole-1,3(2H)-dione

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

8017-4279

Molecular Formula

C15H9ClN2O4 (C15 H9 ClN2 O4)

Compound Name

2-(2-chloro-5-nitrobenzyl)-1H-isoindole-1,3(2H)-dione

IUPAC name

2-[(2-chloro-5-nitrophenyl)methyl]-23-dihydro-1H-isoindole-13-dione

SMILES

[O-][N+](c(cc1)cc(CN(C(c2c3cccc2)=O)C3=O)c1Cl)=O

InChI

InChI=1S/C15H9ClN2O4/c16-13-6-5-10(18(21)22)7-9(13)8-17-14(19)11-3-1-2-4-12(11)15(17)20/h1-7H,8H2

InChI Key

WAMRZMCVPPEDRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.237

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-3.72

Polar Surface Area

62.873

Acid Dissociation Constant (pKa)

28.61

Base Dissociation Constant (pKb)

-11.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

8017-4279 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-4279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4279?
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What is the minimum amount of 8017-4279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4279
  • 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 8017-4279 available by request