3683-0806 Screening compound: 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl 2-phenylacetate

3683-0806 Screening compound: 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl 2-phenylacetate
3683-0806 Screening compound: 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl 2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0806
2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl 2-phenylacetate

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

3683-0806

Molecular Formula

C18H18ClNO4 (C18 H18 ClNO4)

Compound Name

2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl 2-phenylacetate

IUPAC name

n/a

SMILES

O=C(Cc1ccccc1)OCCN(C(C1C2CC(Cl)=CC1)=O)C2=O

InChI

InChI=1S/C18H18ClNO4/c19-13-6-7-14-15(11-13)18(23)20(17(14)22)8-9-24-16(21)10-12-4-2-1-3-5-12/h1-6,14-15H,7-11H2

InChI Key

XPUWFXJDOMWHCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02637385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.323

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-3.03

Polar Surface Area

50.115

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

-8.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 3683-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0806?
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What is the minimum amount of 3683-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0806
  • 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 3683-0806 available by request