SB94-0412 Screening compound: 1-({1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4-piperidyl}methyl)-4-(morpholinocarbonyl)-2-pyrrolidinone

SB94-0412 Screening compound: 1-({1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4-piperidyl}methyl)-4-(morpholinocarbonyl)-2-pyrrolidinone
SB94-0412 Screening compound: 1-({1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4-piperidyl}methyl)-4-(morpholinocarbonyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB94-0412
1-({1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4-piperidyl}methyl)-4-(morpholinocarbonyl)-2-pyrrolidinone

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

SB94-0412

Molecular Formula

C21H30N4O5 (C21 H30 N4 O5)

Compound Name

1-({1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4-piperidyl}methyl)-4-(morpholinocarbonyl)-2-pyrrolidinone

IUPAC name

1-{[1-(35-dimethyl-12-oxazole-4-carbonyl)piperidin-4-yl]methyl}-4-(morpholine-4-carbonyl)pyrrolidin-2-one

SMILES

Cc1noc(C)c1C(N1CCC(CN(CC(C2)C(N3CCOCC3)=O)C2=O)CC1)=O

InChI

InChI=1S/C21H30N4O5/c1-14-19(15(2)30-22-14)21(28)23-5-3-16(4-6-23)12-25-13-17(11-18(25)26)20(27)24-7-9-29-10-8-24/h16-17H,3-13H2,1-2H3/t17-/m1/s1

InChI Key

RPPLNUZONMHCJW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32250352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.294

Distribution Coefficient, logD

-0.294

Water Solubility, LogSw

-0.09

Polar Surface Area

80.677

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SB94-0412 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SB94-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB94-0412?
Check Price and Availability of SB94-0412, 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 SB94-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB94-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB94-0412
  • 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 SB94-0412 available by request