SA87-0106 Screening compound: 3-(5-chloro-1H-1,3-benzodiazol-2-yl)-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}propanamide

SA87-0106 Screening compound: 3-(5-chloro-1H-1,3-benzodiazol-2-yl)-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}propanamide
SA87-0106 Screening compound: 3-(5-chloro-1H-1,3-benzodiazol-2-yl)-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0106
3-(5-chloro-1H-1,3-benzodiazol-2-yl)-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}propanamide

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

SA87-0106

Molecular Formula

C19H25ClN4O3 (C19 H25 ClN4 O3)

Compound Name

3-(5-chloro-1H-1,3-benzodiazol-2-yl)-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}propanamide

IUPAC name

3-(5-chloro-1H-13-benzodiazol-2-yl)-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}propanamide

SMILES

CC(C)CN(CC(CNC(CCc1nc(cc(cc2)Cl)c2[nH]1)=O)OC1)C1=O

InChI

InChI=1S/C19H25ClN4O3/c1-12(2)9-24-10-14(27-11-19(24)26)8-21-18(25)6-5-17-22-15-4-3-13(20)7-16(15)23-17/h3-4,7,12,14H,5-6,8-11H2,1-2H3,(H,21,25)(H,22,23)/t14-/m0/s1

InChI Key

KAVOTLDYOUMBCD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32242529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.674

Distribution Coefficient, logD

1.662

Water Solubility, LogSw

-2.70

Polar Surface Area

70.416

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

SA87-0106 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with SA87-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0106?
Check Price and Availability of SA87-0106, 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 SA87-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0106
  • 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 SA87-0106 available by request