SA87-0649 Screening compound: 3,3-diethyl-1-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}urea

SA87-0649 Screening compound: 3,3-diethyl-1-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}urea
SA87-0649 Screening compound: 3,3-diethyl-1-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0649
3,3-diethyl-1-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}urea

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

SA87-0649

Molecular Formula

C14H27N3O3 (C14 H27 N3 O3)

Compound Name

3,3-diethyl-1-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}urea

IUPAC name

33-diethyl-1-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}urea

SMILES

CCN(CC)C(NCC(CN1CC(C)C)OCC1=O)=O

InChI

InChI=1S/C14H27N3O3/c1-5-16(6-2)14(19)15-7-12-9-17(8-11(3)4)13(18)10-20-12/h11-12H,5-10H2,1-4H3,(H,15,19)/t12-/m1/s1

InChI Key

MJOMESNKALSDCD-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD32241775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.573

Distribution Coefficient, logD

0.573

Water Solubility, LogSw

-1.52

Polar Surface Area

52.009

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.71

SA87-0649 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA87-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0649?
Check Price and Availability of SA87-0649, 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 SA87-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0649
  • 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 SA87-0649 available by request