S652-0549 Screening compound: 2-methyl-3-[(morpholin-4-yl)methyl]-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane

S652-0549 Screening compound: 2-methyl-3-[(morpholin-4-yl)methyl]-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane
S652-0549 Screening compound: 2-methyl-3-[(morpholin-4-yl)methyl]-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound S652-0549
2-methyl-3-[(morpholin-4-yl)methyl]-8-(thiophene-2-carbonyl)-2,8-diazaspiro[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

S652-0549

Molecular Formula

C19H29N3O2S (C19 H29 N3 O2 S)

Compound Name

2-methyl-3-[(morpholin-4-yl)methyl]-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane

IUPAC name

2-methyl-3-[(morpholin-4-yl)methyl]-8-(thiophene-2-carbonyl)-28-diazaspiro[4.5]decane

SMILES

CN(C1)C(CN2CCOCC2)CC1(CC1)CCN1C(c1cccs1)=O

InChI

InChI=1S/C19H29N3O2S/c1-20-15-19(13-16(20)14-21-8-10-24-11-9-21)4-6-22(7-5-19)18(23)17-3-2-12-25-17/h2-3,12,16H,4-11,13-15H2,1H3/t16-/m0/s1

InChI Key

GXIDUEXLIMQIPY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31980606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.011

Distribution Coefficient, logD

-0.269

Water Solubility, LogSw

-2.09

Polar Surface Area

33.105

Acid Dissociation Constant (pKa)

28.35

Base Dissociation Constant (pKb)

8.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

S652-0549 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S652-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S652-0549?
Check Price and Availability of S652-0549, 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 S652-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S652-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S652-0549
  • 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 S652-0549 available by request