S340-0492 Screening compound: [3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl](5-chloro-2-methoxyphenyl)methanone

S340-0492 Screening compound: [3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl](5-chloro-2-methoxyphenyl)methanone
S340-0492 Screening compound: [3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl](5-chloro-2-methoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S340-0492
[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl](5-chloro-2-methoxyphenyl)methanone

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

S340-0492

Molecular Formula

C20H19BrClN3O3 (C20 H19 BrClN3 O3)

Compound Name

[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl](5-chloro-2-methoxyphenyl)methanone

IUPAC name

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

SMILES

COc(ccc(Cl)c1)c1C(N(CC1)CCC11ON=C(c(cc2)ccc2Br)N1)=O

InChI

InChI=1S/C20H19BrClN3O3/c1-27-17-7-6-15(22)12-16(17)19(26)25-10-8-20(9-11-25)23-18(24-28-20)13-2-4-14(21)5-3-13/h2-7,12H,8-11H2,1H3,(H,23,24)

InChI Key

WFFCUAMEUZEHGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.75

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

3.874

Distribution Coefficient, logD

3.791

Water Solubility, LogSw

-4.36

Polar Surface Area

59.971

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S340-0492 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Bromodomain Modulators Library (5801 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)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • 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
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with S340-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S340-0492?
Check Price and Availability of S340-0492, 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 S340-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S340-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S340-0492
  • 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 S340-0492 available by request