C250-0583 Screening compound: 2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C250-0583 Screening compound: 2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
C250-0583 Screening compound: 2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0583
2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

C250-0583

Molecular Formula

C23H22BrN3O3S (C23 H22 BrN3 O3 S)

Compound Name

2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{[3-(4-bromophenyl)-14-diazaspiro[4.4]nona-13-dien-2-yl]sulfanyl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

O=C(CSC1=NC2(CCCC2)N=C1c(cc1)ccc1Br)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H22BrN3O3S/c24-16-5-3-15(4-6-16)21-22(27-23(26-21)9-1-2-10-23)31-14-20(28)25-17-7-8-18-19(13-17)30-12-11-29-18/h3-8,13H,1-2,9-12,14H2,(H,25,28)

InChI Key

HSXBRKYEEBFKHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.42

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

3.643

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-4.00

Polar Surface Area

56.419

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C250-0583 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C250-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0583?
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What is the minimum amount of C250-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0583
  • 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 C250-0583 available by request