C250-0590 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-methyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

C250-0590 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-methyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
C250-0590 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-methyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0590
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-methyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-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

C250-0590

Molecular Formula

C26H29N3O3S (C26 H29 N3 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-methyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{[8-methyl-3-(4-methylphenyl)-14-diazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}acetamide

SMILES

CC(CC1)CCC1(N=C1c2ccc(C)cc2)N=C1SCC(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C26H29N3O3S/c1-17-3-5-19(6-4-17)24-25(29-26(28-24)11-9-18(2)10-12-26)33-16-23(30)27-20-7-8-21-22(15-20)32-14-13-31-21/h3-8,15,18H,9-14,16H2,1-2H3,(H,27,30)

InChI Key

UDPLXYCKVPBQCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

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

4.275

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-4.24

Polar Surface Area

56.053

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C250-0590 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C250-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0590?
Check Price and Availability of C250-0590, 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 C250-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0590
  • 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 C250-0590 available by request