3802-0729 Screening compound: [3-(5-CHLORO-1,3-DIOXO-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOL-2-YL)PROPYL]DIETHYL(2-HYDROXYETHYL)AZANIUM

3802-0729 Screening compound: [3-(5-CHLORO-1,3-DIOXO-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOL-2-YL)PROPYL]DIETHYL(2-HYDROXYETHYL)AZANIUM
3802-0729 Screening compound: [3-(5-CHLORO-1,3-DIOXO-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOL-2-YL)PROPYL]DIETHYL(2-HYDROXYETHYL)AZANIUM alternative view

Chemical Structure Depiction of ChemDiv screening compound 3802-0729
[3-(5-CHLORO-1,3-DIOXO-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOL-2-YL)PROPYL]DIETHYL(2-HYDROXYETHYL)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

3802-0729

Molecular Formula

C17H28ClN2O3 (C17 H28 ClN2 O3)

Compound Name

[3-(5-CHLORO-1,3-DIOXO-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOL-2-YL)PROPYL]DIETHYL(2-HYDROXYETHYL)AZANIUM

IUPAC name

n/a

SMILES

CC[N+](CC)(CCCN(C(C1C2CC(Cl)=CC1)=O)C2=O)CCO

InChI

InChI=1S/C17H28ClN2O3/c1-3-20(4-2,10-11-21)9-5-8-19-16(22)14-7-6-13(18)12-15(14)17(19)23/h6,14-15,21H,3-5,7-12H2,1-2H3/q+1

InChI Key

VJXSHVFXVIIDDD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

343.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.437

Distribution Coefficient, logD

1.437

Water Solubility, LogSw

-2.40

Polar Surface Area

46.804

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

-9.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

76.50

3802-0729 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 3802-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3802-0729?
Check Price and Availability of 3802-0729, 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 3802-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3802-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3802-0729
  • 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 3802-0729 available by request