8003-3898 Screening compound: 5-nitro-2-(4-{(E)-4-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-1-buten-3-ynyl}phenyl)-1H-isoindole-1,3(2H)-dione

8003-3898 Screening compound: 5-nitro-2-(4-{(E)-4-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-1-buten-3-ynyl}phenyl)-1H-isoindole-1,3(2H)-dione
8003-3898 Screening compound: 5-nitro-2-(4-{(E)-4-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-1-buten-3-ynyl}phenyl)-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3898
5-nitro-2-(4-{(E)-4-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-1-buten-3-ynyl}phenyl)-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

8003-3898

Molecular Formula

C32H16N4O8 (C32 H16 N4 O8)

Compound Name

5-nitro-2-(4-{(E)-4-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-1-buten-3-ynyl}phenyl)-1H-isoindole-1,3(2H)-dione

IUPAC name

5-nitro-2-{4-[(3E)-4-[4-(5-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)phenyl]but-3-en-1-yn-1-yl]phenyl}-23-dihydro-1H-isoindole-13-dione

SMILES

[O-][N+](c(cc1)cc(C(N2c3ccc(/C=C/C#Cc(cc4)ccc4N(C(c(cc4)c5cc4[N+]([O-])=O)=O)C5=O)cc3)=O)c1C2=O)=O

InChI

InChI=1S/C32H16N4O8/c37-29-25-15-13-23(35(41)42)17-27(25)31(39)33(29)21-9-5-19(6-10-21)3-1-2-4-20-7-11-22(12-8-20)34-30(38)26-16-14-24(36(43)44)18-28(26)32(34)40/h1,3,5-18H

InChI Key

AVMMNBCFYSZOOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00306109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.5

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.805

Distribution Coefficient, logD

5.805

Water Solubility, LogSw

-5.97

Polar Surface Area

124.013

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-3898 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 8003-3898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3898?
Check Price and Availability of 8003-3898, 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 8003-3898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3898
  • 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 8003-3898 available by request