C250-0596 Screening compound: 2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide

C250-0596 Screening compound: 2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
C250-0596 Screening compound: 2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0596
2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)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

C250-0596

Molecular Formula

C23H24BrN3O3S (C23 H24 BrN3 O3 S)

Compound Name

2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide

IUPAC name

2-{[3-(4-bromophenyl)-14-diazaspiro[4.4]nona-13-dien-2-yl]sulfanyl}-N-(25-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(NC(CSC2=NC3(CCCC3)N=C2c(cc2)ccc2Br)=O)c1OC

InChI

InChI=1S/C23H24BrN3O3S/c1-29-17-9-10-19(30-2)18(13-17)25-20(28)14-31-22-21(15-5-7-16(24)8-6-15)26-23(27-22)11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,25,28)

InChI Key

KRBGSFNXWGQAIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.34

Polar Surface Area

55.073

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C250-0596 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 C250-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0596?
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What is the minimum amount of C250-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0596
  • 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 C250-0596 available by request