SA87-0687 Screening compound: N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}morpholine-4-sulfonamide

SA87-0687 Screening compound: N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}morpholine-4-sulfonamide
SA87-0687 Screening compound: N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}morpholine-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0687
N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}morpholine-4-sulfonamide

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

SA87-0687

Molecular Formula

C13H25N3O5S (C13 H25 N3 O5 S)

Compound Name

N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}morpholine-4-sulfonamide

IUPAC name

N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}morpholine-4-sulfonamide

SMILES

CC(C)CN(CC(CNS(N1CCOCC1)(=O)=O)OC1)C1=O

InChI

InChI=1S/C13H25N3O5S/c1-11(2)8-15-9-12(21-10-13(15)17)7-14-22(18,19)16-3-5-20-6-4-16/h11-12,14H,3-10H2,1-2H3/t12-/m0/s1

InChI Key

MGJYVCSOJYVWCC-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD32242281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.325

Distribution Coefficient, logD

-0.325

Water Solubility, LogSw

-1.73

Polar Surface Area

78.340

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.31

SA87-0687 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA87-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0687?
Check Price and Availability of SA87-0687, 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 SA87-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0687
  • 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 SA87-0687 available by request