C250-0224 Screening compound: ethyl 4-(2-{[3-(4-chlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamido)benzoate

C250-0224 Screening compound: ethyl 4-(2-{[3-(4-chlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamido)benzoate
C250-0224 Screening compound: ethyl 4-(2-{[3-(4-chlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0224
ethyl 4-(2-{[3-(4-chlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamido)benzoate

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

C250-0224

Molecular Formula

C25H26ClN3O3S (C25 H26 ClN3 O3 S)

Compound Name

ethyl 4-(2-{[3-(4-chlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[3-(4-chlorophenyl)-14-diazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSC1=NC2(CCCCC2)N=C1c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C25H26ClN3O3S/c1-2-32-24(31)18-8-12-20(13-9-18)27-21(30)16-33-23-22(17-6-10-19(26)11-7-17)28-25(29-23)14-4-3-5-15-25/h6-13H,2-5,14-16H2,1H3,(H,27,30)

InChI Key

ZWFJSZNPHVYVLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.534

Water Solubility, LogSw

-5.83

Polar Surface Area

60.984

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C250-0224 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C250-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0224?
Check Price and Availability of C250-0224, 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 C250-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0224
  • 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 C250-0224 available by request