0584-0440 Screening compound: 2-methylpropyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate

0584-0440 Screening compound: 2-methylpropyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate
0584-0440 Screening compound: 2-methylpropyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0440
2-methylpropyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate

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

0584-0440

Molecular Formula

C25H20N2O7 (C25 H20 N2 O7)

Compound Name

2-methylpropyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoate

IUPAC name

2-methylpropyl 4-[5-(4-nitrophenoxy)-13-dioxo-23-dihydro-1H-isoindol-2-yl]benzoate

SMILES

CC(C)COC(c(cc1)ccc1N(C(c(cc1)c2cc1Oc(cc1)ccc1[N+]([O-])=O)=O)C2=O)=O

InChI

InChI=1S/C25H20N2O7/c1-15(2)14-33-25(30)16-3-5-17(6-4-16)26-23(28)21-12-11-20(13-22(21)24(26)29)34-19-9-7-18(8-10-19)27(31)32/h3-13,15H,14H2,1-2H3

InChI Key

OQLPUBIODPAVGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00632567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.815

Distribution Coefficient, logD

5.815

Water Solubility, LogSw

-5.57

Polar Surface Area

90.138

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

-7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

0584-0440 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 0584-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0440?
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What is the minimum amount of 0584-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0440
  • 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 0584-0440 available by request