S340-0087 Screening compound: 3-(3-bromophenyl)-8-(3-methoxybenzoyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene

S340-0087 Screening compound: 3-(3-bromophenyl)-8-(3-methoxybenzoyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene
S340-0087 Screening compound: 3-(3-bromophenyl)-8-(3-methoxybenzoyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene alternative view

Chemical Structure Depiction of ChemDiv screening compound S340-0087
3-(3-bromophenyl)-8-(3-methoxybenzoyl)-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

S340-0087

Molecular Formula

C20H20BrN3O3 (C20 H20 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(N(CC2)CCC22ON=C(c3cccc(Br)c3)N2)=O)c1

InChI

InChI=1S/C20H20BrN3O3/c1-26-17-7-3-5-15(13-17)19(25)24-10-8-20(9-11-24)22-18(23-27-20)14-4-2-6-16(21)12-14/h2-7,12-13H,8-11H2,1H3,(H,22,23)

InChI Key

QMFKRTBTNQQYTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.3

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

3.134

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.48

Polar Surface Area

59.884

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S340-0087 in Drug Discovery

Included in Screening Libraries

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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S340-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S340-0087?
Check Price and Availability of S340-0087, 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 S340-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S340-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S340-0087
  • 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 S340-0087 available by request