S682-0181 Screening compound: 4-methyl-N-[2-(3-methylphenyl)ethyl]-3-phenylmorpholine-2-carboxamide

S682-0181 Screening compound: 4-methyl-N-[2-(3-methylphenyl)ethyl]-3-phenylmorpholine-2-carboxamide
S682-0181 Screening compound: 4-methyl-N-[2-(3-methylphenyl)ethyl]-3-phenylmorpholine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S682-0181
4-methyl-N-[2-(3-methylphenyl)ethyl]-3-phenylmorpholine-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

S682-0181

Molecular Formula

C21H26N2O2 (C21 H26 N2 O2)

Compound Name

4-methyl-N-[2-(3-methylphenyl)ethyl]-3-phenylmorpholine-2-carboxamide

IUPAC name

(2R3S)-4-methyl-N-[2-(3-methylphenyl)ethyl]-3-phenylmorpholine-2-carboxamide

SMILES

Cc1cccc(CCNC([C@H]2OCCN(C)[C@@H]2c2ccccc2)=O)c1

InChI

InChI=1S/C21H26N2O2/c1-16-7-6-8-17(15-16)11-12-22-21(24)20-19(23(2)13-14-25-20)18-9-4-3-5-10-18/h3-10,15,19-20H,11-14H2,1-2H3,(H,22,24)/t19-,20+/m1/s1

InChI Key

ZBPROLRTNZRZDK-UXHICEINSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

2.623

Water Solubility, LogSw

-2.92

Polar Surface Area

36.094

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

S682-0181 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S682-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S682-0181?
Check Price and Availability of S682-0181, 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 S682-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S682-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S682-0181
  • 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 S682-0181 available by request