S519-1012 Screening compound: 4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide

S519-1012 Screening compound: 4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide
S519-1012 Screening compound: 4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S519-1012
4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-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

S519-1012

Molecular Formula

C21H23FN2O5 (C21 H23 FN2 O5)

Compound Name

4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide

IUPAC name

(3S)-4-[(34-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide

SMILES

COc(ccc(CN([C@@H](COC1)C(NCc(cccc2)c2F)=O)C1=O)c1)c1OC

InChI

InChI=1S/C21H23FN2O5/c1-27-18-8-7-14(9-19(18)28-2)11-24-17(12-29-13-20(24)25)21(26)23-10-15-5-3-4-6-16(15)22/h3-9,17H,10-13H2,1-2H3,(H,23,26)/t17-/m0/s1

InChI Key

MPHAZTGLXQGDTM-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.484

Distribution Coefficient, logD

1.484

Water Solubility, LogSw

-2.20

Polar Surface Area

65.227

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S519-1012 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S519-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S519-1012?
Check Price and Availability of S519-1012, 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 S519-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S519-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S519-1012
  • 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 S519-1012 available by request