S959-1066 Screening compound: 3-METHYL-N-[2-(3-MORPHOLINO-2-OXO-1-PYRROLIDINYL)ETHYL]-4-ISOXAZOLECARBOXAMIDE

S959-1066 Screening compound: 3-METHYL-N-[2-(3-MORPHOLINO-2-OXO-1-PYRROLIDINYL)ETHYL]-4-ISOXAZOLECARBOXAMIDE
S959-1066 Screening compound: 3-METHYL-N-[2-(3-MORPHOLINO-2-OXO-1-PYRROLIDINYL)ETHYL]-4-ISOXAZOLECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-1066
3-METHYL-N-[2-(3-MORPHOLINO-2-OXO-1-PYRROLIDINYL)ETHYL]-4-ISOXAZOLECARBOXAMIDE

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

S959-1066

Molecular Formula

C15H22N4O4 (C15 H22 N4 O4)

Compound Name

3-METHYL-N-[2-(3-MORPHOLINO-2-OXO-1-PYRROLIDINYL)ETHYL]-4-ISOXAZOLECARBOXAMIDE

IUPAC name

3-methyl-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}-12-oxazole-4-carboxamide

SMILES

Cc1nocc1C(NCCN(CCC1N2CCOCC2)C1=O)=O

InChI

InChI=1S/C15H22N4O4/c1-11-12(10-23-17-11)14(20)16-3-5-19-4-2-13(15(19)21)18-6-8-22-9-7-18/h10,13H,2-9H2,1H3,(H,16,20)/t13-/m0/s1

InChI Key

MAIJWBZKTCAECV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32231475

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.692

Distribution Coefficient, logD

-0.694

Water Solubility, LogSw

-1.34

Polar Surface Area

76.273

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S959-1066 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S959-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-1066?
Check Price and Availability of S959-1066, 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 S959-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-1066
  • 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 S959-1066 available by request