S340-0606 Screening compound: 1-[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-3-(2-methoxyphenyl)propan-1-one

S340-0606 Screening compound: 1-[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-3-(2-methoxyphenyl)propan-1-one
S340-0606 Screening compound: 1-[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-3-(2-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S340-0606
1-[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-3-(2-methoxyphenyl)propan-1-one

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

S340-0606

Molecular Formula

C22H24ClN3O3 (C22 H24 ClN3 O3)

Compound Name

1-[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-3-(2-methoxyphenyl)propan-1-one

IUPAC name

1-[3-(4-chlorophenyl)-1-oxa-248-triazaspiro[4.5]dec-2-en-8-yl]-3-(2-methoxyphenyl)propan-1-one

SMILES

COc1c(CCC(N(CC2)CCC22ON=C(c(cc3)ccc3Cl)N2)=O)cccc1

InChI

InChI=1S/C22H24ClN3O3/c1-28-19-5-3-2-4-16(19)8-11-20(27)26-14-12-22(13-15-26)24-21(25-29-22)17-6-9-18(23)10-7-17/h2-7,9-10H,8,11-15H2,1H3,(H,24,25)

InChI Key

DYXZDXQSAFWFCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.473

Water Solubility, LogSw

-4.04

Polar Surface Area

59.443

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

S340-0606 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 S340-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S340-0606?
Check Price and Availability of S340-0606, 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 S340-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S340-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S340-0606
  • 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 S340-0606 available by request