8004-7683 Screening compound: isopentyl 2-(4-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxylate

8004-7683 Screening compound: isopentyl 2-(4-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxylate
8004-7683 Screening compound: isopentyl 2-(4-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7683
isopentyl 2-(4-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxylate

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

8004-7683

Molecular Formula

C20H18N2O6 (C20 H18 N2 O6)

Compound Name

isopentyl 2-(4-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxylate

IUPAC name

3-methylbutyl 2-(4-nitrophenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

CC(C)CCOC(c(cc1)cc(C(N2c(cc3)ccc3[N+]([O-])=O)=O)c1C2=O)=O

InChI

InChI=1S/C20H18N2O6/c1-12(2)9-10-28-20(25)13-3-8-16-17(11-13)19(24)21(18(16)23)14-4-6-15(7-5-14)22(26)27/h3-8,11-12H,9-10H2,1-2H3

InChI Key

UETDZKGQKOQSCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00594658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.648

Distribution Coefficient, logD

4.648

Water Solubility, LogSw

-4.39

Polar Surface Area

83.309

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-11.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8004-7683 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-7683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7683?
Check Price and Availability of 8004-7683, 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 8004-7683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7683
  • 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 8004-7683 available by request