3535-0358 Screening compound: 2-[3-oxo-3-(10H-phenothiazin-10-yl)propyl]-octahydro-1H-isoindole-1,3-dione

3535-0358 Screening compound: 2-[3-oxo-3-(10H-phenothiazin-10-yl)propyl]-octahydro-1H-isoindole-1,3-dione
3535-0358 Screening compound: 2-[3-oxo-3-(10H-phenothiazin-10-yl)propyl]-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3535-0358
2-[3-oxo-3-(10H-phenothiazin-10-yl)propyl]-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

3535-0358

Molecular Formula

C23H22N2O3S (C23 H22 N2 O3 S)

Compound Name

2-[3-oxo-3-(10H-phenothiazin-10-yl)propyl]-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-[3-oxo-3-(10H-phenothiazin-10-yl)propyl]-octahydro-1H-isoindole-13-dione

SMILES

O=C(CCN(C(C1C2CCCC1)=O)C2=O)N1c(cccc2)c2Sc2c1cccc2

InChI

InChI=1S/C23H22N2O3S/c26-21(13-14-24-22(27)15-7-1-2-8-16(15)23(24)28)25-17-9-3-5-11-19(17)29-20-12-6-4-10-18(20)25/h3-6,9-12,15-16H,1-2,7-8,13-14H2

InChI Key

SLWNFSXHUSIJJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01945525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.68

Polar Surface Area

43.037

Acid Dissociation Constant (pKa)

19.40

Base Dissociation Constant (pKb)

-5.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

3535-0358 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 3535-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3535-0358?
Check Price and Availability of 3535-0358, 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 3535-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3535-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3535-0358
  • 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 3535-0358 available by request