C250-0595 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl}sulfanyl)acetamide

C250-0595 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl}sulfanyl)acetamide
C250-0595 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0595
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl}sulfanyl)acetamide

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

C250-0595

Molecular Formula

C25H27N3O3S (C25 H27 N3 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl}sulfanyl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-({3-phenyl-14-diazaspiro[4.6]undeca-13-dien-2-yl}sulfanyl)acetamide

SMILES

O=C(CSC1=NC2(CCCCCC2)N=C1c1ccccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C25H27N3O3S/c29-22(26-19-10-11-20-21(16-19)31-15-14-30-20)17-32-24-23(18-8-4-3-5-9-18)27-25(28-24)12-6-1-2-7-13-25/h3-5,8-11,16H,1-2,6-7,12-15,17H2,(H,26,29)

InChI Key

IJAZIJXQCWJPQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-3.92

Polar Surface Area

56.384

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C250-0595 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C250-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0595?
Check Price and Availability of C250-0595, 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 C250-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0595
  • 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 C250-0595 available by request