4644-0034 Screening compound: [2-(1,3-dioxo-4,7-diphenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)ethyl]dimethyl[2-oxo-2-(propan-2-yloxy)ethyl]azanium

4644-0034 Screening compound: [2-(1,3-dioxo-4,7-diphenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)ethyl]dimethyl[2-oxo-2-(propan-2-yloxy)ethyl]azanium
4644-0034 Screening compound: [2-(1,3-dioxo-4,7-diphenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)ethyl]dimethyl[2-oxo-2-(propan-2-yloxy)ethyl]azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4644-0034
[2-(1,3-dioxo-4,7-diphenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)ethyl]dimethyl[2-oxo-2-(propan-2-yloxy)ethyl]azanium

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

4644-0034

Molecular Formula

C29H35N2O4 (C29 H35 N2 O4)

Compound Name

[2-(1,3-dioxo-4,7-diphenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)ethyl]dimethyl[2-oxo-2-(propan-2-yloxy)ethyl]azanium

IUPAC name

[2-(13-dioxo-47-diphenyl-233a477a-hexahydro-1H-isoindol-2-yl)ethyl]dimethyl[2-oxo-2-(propan-2-yloxy)ethyl]azanium

SMILES

CC(C)OC(C[N+](C)(C)CCN(C(C(C1C(C=C2)c3ccccc3)C2c2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C29H35N2O4/c1-20(2)35-25(32)19-31(3,4)18-17-30-28(33)26-23(21-11-7-5-8-12-21)15-16-24(27(26)29(30)34)22-13-9-6-10-14-22/h5-16,20,23-24,26-27H,17-19H2,1-4H3/q+1

InChI Key

IZXJDWLNVCIZQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062427

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-3.65

Polar Surface Area

49.563

Acid Dissociation Constant (pKa)

16.28

Base Dissociation Constant (pKb)

-8.60

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

41.40

4644-0034 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4644-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4644-0034?
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What is the minimum amount of 4644-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4644-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4644-0034
  • 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 4644-0034 available by request