SB94-0331 Screening compound: 1-{[1-(4-methylpentanoyl)-4-piperidyl]methyl}-4-(morpholinocarbonyl)-2-pyrrolidinone

SB94-0331 Screening compound: 1-{[1-(4-methylpentanoyl)-4-piperidyl]methyl}-4-(morpholinocarbonyl)-2-pyrrolidinone
SB94-0331 Screening compound: 1-{[1-(4-methylpentanoyl)-4-piperidyl]methyl}-4-(morpholinocarbonyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB94-0331
1-{[1-(4-methylpentanoyl)-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

SB94-0331

Molecular Formula

C21H35N3O4 (C21 H35 N3 O4)

Compound Name

1-{[1-(4-methylpentanoyl)-4-piperidyl]methyl}-4-(morpholinocarbonyl)-2-pyrrolidinone

IUPAC name

1-{[1-(4-methylpentanoyl)piperidin-4-yl]methyl}-4-(morpholine-4-carbonyl)pyrrolidin-2-one

SMILES

CC(C)CCC(N1CCC(CN(CC(C2)C(N3CCOCC3)=O)C2=O)CC1)=O

InChI

InChI=1S/C21H35N3O4/c1-16(2)3-4-19(25)22-7-5-17(6-8-22)14-24-15-18(13-20(24)26)21(27)23-9-11-28-12-10-23/h16-18H,3-15H2,1-2H3/t18-/m1/s1

InChI Key

TUOWIOBJSFJAPD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32250043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.900

Distribution Coefficient, logD

0.900

Water Solubility, LogSw

-0.72

Polar Surface Area

58.383

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.71

SB94-0331 in Drug Discovery

Included in Screening Libraries

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 SB94-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB94-0331?
Check Price and Availability of SB94-0331, 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 SB94-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB94-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB94-0331
  • 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 SB94-0331 available by request