SA87-0481 Screening compound: N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-4-(1H-indol-3-yl)butanamide

SA87-0481 Screening compound: N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-4-(1H-indol-3-yl)butanamide
SA87-0481 Screening compound: N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-4-(1H-indol-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0481
N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-4-(1H-indol-3-yl)butanamide

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

SA87-0481

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-4-(1H-indol-3-yl)butanamide

IUPAC name

N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-4-(1H-indol-3-yl)butanamide

SMILES

O=C(CCCc1c[nH]c2c1cccc2)NCC(CN1Cc2ccccc2)OCC1=O

InChI

InChI=1S/C24H27N3O3/c28-23(12-6-9-19-13-25-22-11-5-4-10-21(19)22)26-14-20-16-27(24(29)17-30-20)15-18-7-2-1-3-8-18/h1-5,7-8,10-11,13,20,25H,6,9,12,14-17H2,(H,26,28)/t20-/m1/s1

InChI Key

GCFAKGVSGBVTOI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32242401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.828

Distribution Coefficient, logD

1.828

Water Solubility, LogSw

-2.20

Polar Surface Area

59.733

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

SA87-0481 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)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with SA87-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0481?
Check Price and Availability of SA87-0481, 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 SA87-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0481
  • 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 SA87-0481 available by request