3652-0119 Screening compound: 2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-octahydro-1H-isoindole-1,3-dione

3652-0119 Screening compound: 2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-octahydro-1H-isoindole-1,3-dione
3652-0119 Screening compound: 2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3652-0119
2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-octahydro-1H-isoindole-1,3-dione

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

3652-0119

Molecular Formula

C18H20N2O3 (C18 H20 N2 O3)

Compound Name

2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]-octahydro-1H-isoindole-13-dione

SMILES

O=C(CN(C(C1C2CCCC1)=O)C2=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C18H20N2O3/c21-16(19-10-9-12-5-1-4-8-15(12)19)11-20-17(22)13-6-2-3-7-14(13)18(20)23/h1,4-5,8,13-14H,2-3,6-7,9-11H2

InChI Key

VMAQHFNLSUWYCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.608

Distribution Coefficient, logD

1.608

Water Solubility, LogSw

-2.51

Polar Surface Area

45.106

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

3652-0119 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3652-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3652-0119?
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What is the minimum amount of 3652-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3652-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3652-0119
  • 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 3652-0119 available by request