S682-0543 Screening compound: 4-methyl-3-phenyl-N-[(thiophen-2-yl)methyl]morpholine-2-carboxamide

S682-0543 Screening compound: 4-methyl-3-phenyl-N-[(thiophen-2-yl)methyl]morpholine-2-carboxamide
S682-0543 Screening compound: 4-methyl-3-phenyl-N-[(thiophen-2-yl)methyl]morpholine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S682-0543
4-methyl-3-phenyl-N-[(thiophen-2-yl)methyl]morpholine-2-carboxamide

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

S682-0543

Molecular Formula

C17H20N2O2S (C17 H20 N2 O2 S)

Compound Name

4-methyl-3-phenyl-N-[(thiophen-2-yl)methyl]morpholine-2-carboxamide

IUPAC name

(2R3S)-4-methyl-3-phenyl-N-[(thiophen-2-yl)methyl]morpholine-2-carboxamide

SMILES

CN(CCO[C@@H]1C(NCc2cccs2)=O)[C@@H]1c1ccccc1

InChI

InChI=1S/C17H20N2O2S/c1-19-9-10-21-16(15(19)13-6-3-2-4-7-13)17(20)18-12-14-8-5-11-22-14/h2-8,11,15-16H,9-10,12H2,1H3,(H,18,20)/t15-,16+/m1/s1

InChI Key

NHRVMUICNBXXSW-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.847

Distribution Coefficient, logD

1.831

Water Solubility, LogSw

-2.22

Polar Surface Area

37.271

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.29

S682-0543 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S682-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S682-0543?
Check Price and Availability of S682-0543, 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 S682-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S682-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S682-0543
  • 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 S682-0543 available by request