S682-0304 Screening compound: 4-cyclopropyl-2-(morpholine-4-carbonyl)-3-phenylmorpholine

S682-0304 Screening compound: 4-cyclopropyl-2-(morpholine-4-carbonyl)-3-phenylmorpholine
S682-0304 Screening compound: 4-cyclopropyl-2-(morpholine-4-carbonyl)-3-phenylmorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S682-0304
4-cyclopropyl-2-(morpholine-4-carbonyl)-3-phenylmorpholine

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

S682-0304

Molecular Formula

C18H24N2O3 (C18 H24 N2 O3)

Compound Name

4-cyclopropyl-2-(morpholine-4-carbonyl)-3-phenylmorpholine

IUPAC name

(2R3S)-4-cyclopropyl-2-(morpholine-4-carbonyl)-3-phenylmorpholine

SMILES

O=C([C@H]1OCCN(C2CC2)[C@@H]1c1ccccc1)N1CCOCC1

InChI

InChI=1S/C18H24N2O3/c21-18(19-8-11-22-12-9-19)17-16(14-4-2-1-3-5-14)20(10-13-23-17)15-6-7-15/h1-5,15-17H,6-13H2/t16-,17+/m1/s1

InChI Key

YABMXIRLNVBYAC-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

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

1.617

Distribution Coefficient, logD

1.617

Water Solubility, LogSw

-1.66

Polar Surface Area

36.128

Acid Dissociation Constant (pKa)

20.51

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S682-0304 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S682-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S682-0304?
Check Price and Availability of S682-0304, 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 S682-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S682-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S682-0304
  • 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 S682-0304 available by request