S340-0268 Screening compound: 8-(5-chloro-2-methoxybenzoyl)-3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene

S340-0268 Screening compound: 8-(5-chloro-2-methoxybenzoyl)-3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene
S340-0268 Screening compound: 8-(5-chloro-2-methoxybenzoyl)-3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene alternative view

Chemical Structure Depiction of ChemDiv screening compound S340-0268
8-(5-chloro-2-methoxybenzoyl)-3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene

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

S340-0268

Molecular Formula

C21H22ClN3O3 (C21 H22 ClN3 O3)

Compound Name

8-(5-chloro-2-methoxybenzoyl)-3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene

IUPAC name

8-(5-chloro-2-methoxybenzoyl)-3-(4-methylphenyl)-1-oxa-248-triazaspiro[4.5]dec-2-ene

SMILES

Cc(cc1)ccc1C1=NOC(CC2)(CCN2C(c(cc(cc2)Cl)c2OC)=O)N1

InChI

InChI=1S/C21H22ClN3O3/c1-14-3-5-15(6-4-14)19-23-21(28-24-19)9-11-25(12-10-21)20(26)17-13-16(22)7-8-18(17)27-2/h3-8,13H,9-12H2,1-2H3,(H,23,24)

InChI Key

SJXQZPRRCBLTOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.463

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.91

Polar Surface Area

59.971

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S340-0268 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Kinases
  • Others
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S340-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S340-0268?
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What is the minimum amount of S340-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S340-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S340-0268
  • 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 S340-0268 available by request