C250-0441 Screening compound: N-(3,4-dichlorophenyl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide

C250-0441 Screening compound: N-(3,4-dichlorophenyl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
C250-0441 Screening compound: N-(3,4-dichlorophenyl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0441
N-(3,4-dichlorophenyl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-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

C250-0441

Molecular Formula

C22H21Cl2N3OS (C22 H21 Cl2 N3 OS)

Compound Name

N-(3,4-dichlorophenyl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide

IUPAC name

N-(34-dichlorophenyl)-2-{[3-(4-methylphenyl)-14-diazaspiro[4.4]nona-13-dien-2-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1C1=NC2(CCCC2)N=C1SCC(Nc(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C22H21Cl2N3OS/c1-14-4-6-15(7-5-14)20-21(27-22(26-20)10-2-3-11-22)29-13-19(28)25-16-8-9-17(23)18(24)12-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,25,28)

InChI Key

XYCURWWSXZEKIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.734

Distribution Coefficient, logD

5.727

Water Solubility, LogSw

-6.02

Polar Surface Area

40.596

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C250-0441 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C250-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0441?
Check Price and Availability of C250-0441, 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 C250-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0441
  • 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 C250-0441 available by request