M560-1329 Screening compound: 8-{1-[2-(thiomorpholin-4-yl)pyrimidin-5-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

M560-1329 Screening compound: 8-{1-[2-(thiomorpholin-4-yl)pyrimidin-5-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
M560-1329 Screening compound: 8-{1-[2-(thiomorpholin-4-yl)pyrimidin-5-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound M560-1329
8-{1-[2-(thiomorpholin-4-yl)pyrimidin-5-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

M560-1329

Molecular Formula

C21H31N5O3S (C21 H31 N5 O3 S)

Compound Name

8-{1-[2-(thiomorpholin-4-yl)pyrimidin-5-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{1-[2-(thiomorpholin-4-yl)pyrimidin-5-yl]piperidine-4-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(C(CC1)CCN1c1cnc(N2CCSCC2)nc1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C21H31N5O3S/c27-19(25-7-3-21(4-8-25)28-11-12-29-21)17-1-5-24(6-2-17)18-15-22-20(23-16-18)26-9-13-30-14-10-26/h15-17H,1-14H2

InChI Key

ANHXLBILCSJVRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27547093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.984

Distribution Coefficient, logD

0.982

Water Solubility, LogSw

-1.77

Polar Surface Area

56.770

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

9.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.20

M560-1329 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M560-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M560-1329?
Check Price and Availability of M560-1329, 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 M560-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M560-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M560-1329
  • 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 M560-1329 available by request