SB13-0339 Screening compound: 6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one

SB13-0339 Screening compound: 6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one
SB13-0339 Screening compound: 6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB13-0339
6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one

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

SB13-0339

Molecular Formula

C20H28FN3O3 (C20 H28 FN3 O3)

Compound Name

6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one

IUPAC name

(5R6R)-6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one

SMILES

CN(CC1)CCN1C([C@@H](CC1)[C@@H](c(cc2)ccc2F)N(CCOC)C1=O)=O

InChI

InChI=1S/C20H28FN3O3/c1-22-9-11-23(12-10-22)20(26)17-7-8-18(25)24(13-14-27-2)19(17)15-3-5-16(21)6-4-15/h3-6,17,19H,7-14H2,1-2H3/t17-,19+/m0/s1

InChI Key

VBTIJDDUSCPWQD-PKOBYXMFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.028

Distribution Coefficient, logD

0.680

Water Solubility, LogSw

-2.55

Polar Surface Area

44.918

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

SB13-0339 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB13-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB13-0339?
Check Price and Availability of SB13-0339, 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 SB13-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB13-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB13-0339
  • 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 SB13-0339 available by request