SA87-0279 Screening compound: 4-(1,3-benzothiazol-2-yl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}butanamide

SA87-0279 Screening compound: 4-(1,3-benzothiazol-2-yl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}butanamide
SA87-0279 Screening compound: 4-(1,3-benzothiazol-2-yl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0279
4-(1,3-benzothiazol-2-yl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}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

SA87-0279

Molecular Formula

C19H25N3O4S (C19 H25 N3 O4 S)

Compound Name

4-(1,3-benzothiazol-2-yl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}butanamide

IUPAC name

4-(13-benzothiazol-2-yl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}butanamide

SMILES

COCCN(CC(CNC(CCCc1nc(cccc2)c2s1)=O)OC1)C1=O

InChI

InChI=1S/C19H25N3O4S/c1-25-10-9-22-12-14(26-13-19(22)24)11-20-17(23)7-4-8-18-21-15-5-2-3-6-16(15)27-18/h2-3,5-6,14H,4,7-13H2,1H3,(H,20,23)/t14-/m0/s1

InChI Key

DYZCYHTXADKAJM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32241395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.729

Distribution Coefficient, logD

0.729

Water Solubility, LogSw

-1.98

Polar Surface Area

68.670

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

SA87-0279 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA87-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0279?
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What is the minimum amount of SA87-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0279
  • 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 SA87-0279 available by request