4513-0615 Screening compound: 1,3-diethyl 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1-{[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]oxy}propylidene]propanedioate

4513-0615 Screening compound: 1,3-diethyl 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1-{[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]oxy}propylidene]propanedioate
4513-0615 Screening compound: 1,3-diethyl 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1-{[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]oxy}propylidene]propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4513-0615
1,3-diethyl 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1-{[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]oxy}propylidene]propanedioate

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

4513-0615

Molecular Formula

C29H26N2O10 (C29 H26 N2 O10)

Compound Name

1,3-diethyl 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1-{[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]oxy}propylidene]propanedioate

IUPAC name

13-diethyl 2-[3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-1-{[3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanoyl]oxy}propylidene]propanedioate

SMILES

CCOC(C(C(OCC)=O)=C(CCN(C(c1c2cccc1)=O)C2=O)OC(CCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C29H26N2O10/c1-3-39-28(37)23(29(38)40-4-2)21(13-15-30-24(33)17-9-5-6-10-18(17)25(30)34)41-22(32)14-16-31-26(35)19-11-7-8-12-20(19)27(31)36/h5-12H,3-4,13-16H2,1-2H3

InChI Key

KTYQTGZDLWTKOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00309820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.53

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.998

Distribution Coefficient, logD

2.998

Water Solubility, LogSw

-3.29

Polar Surface Area

120.066

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

-7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with 4513-0615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4513-0615?
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What is the minimum amount of 4513-0615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4513-0615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4513-0615
  • 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 4513-0615 available by request