SA87-0526 Screening compound: N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]quinoline-2-carboxamide

SA87-0526 Screening compound: N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]quinoline-2-carboxamide
SA87-0526 Screening compound: N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0526
N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]quinoline-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

SA87-0526

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]quinoline-2-carboxamide

IUPAC name

N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]quinoline-2-carboxamide

SMILES

O=C(c1nc2ccccc2cc1)NCC(CN1Cc2ccccc2)OCC1=O

InChI

InChI=1S/C22H21N3O3/c26-21-15-28-18(14-25(21)13-16-6-2-1-3-7-16)12-23-22(27)20-11-10-17-8-4-5-9-19(17)24-20/h1-11,18H,12-15H2,(H,23,27)/t18-/m1/s1

InChI Key

LHIPNLXQHPGKJB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32242538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.940

Distribution Coefficient, logD

1.940

Water Solubility, LogSw

-2.64

Polar Surface Area

58.407

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.73

SA87-0526 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA87-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0526?
Check Price and Availability of SA87-0526, 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 SA87-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0526
  • 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 SA87-0526 available by request