S340-0512 Screening compound: 3-(4-bromophenyl)-8-(4-tert-butylbenzoyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene

S340-0512 Screening compound: 3-(4-bromophenyl)-8-(4-tert-butylbenzoyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene
S340-0512 Screening compound: 3-(4-bromophenyl)-8-(4-tert-butylbenzoyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene alternative view

Chemical Structure Depiction of ChemDiv screening compound S340-0512
3-(4-bromophenyl)-8-(4-tert-butylbenzoyl)-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

S340-0512

Molecular Formula

C23H26BrN3O2 (C23 H26 BrN3 O2)

Compound Name

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

IUPAC name

3-(4-bromophenyl)-8-(4-tert-butylbenzoyl)-1-oxa-248-triazaspiro[4.5]dec-2-ene

SMILES

CC(C)(C)c(cc1)ccc1C(N(CC1)CCC11ON=C(c(cc2)ccc2Br)N1)=O

InChI

InChI=1S/C23H26BrN3O2/c1-22(2,3)18-8-4-17(5-9-18)21(28)27-14-12-23(13-15-27)25-20(26-29-23)16-6-10-19(24)11-7-16/h4-11H,12-15H2,1-3H3,(H,25,26)

InChI Key

SWQVALHTVVBGDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

4.931

Water Solubility, LogSw

-4.54

Polar Surface Area

52.340

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

S340-0512 in Drug Discovery

Included in Screening Libraries

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)

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 S340-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S340-0512?
Check Price and Availability of S340-0512, 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 S340-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S340-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S340-0512
  • 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 S340-0512 available by request