SB13-0352 Screening compound: 2-(4-fluorophenyl)-1-(2-methoxyethyl)-N-(3-methylbutyl)-6-oxopiperidine-3-carboxamide

SB13-0352 Screening compound: 2-(4-fluorophenyl)-1-(2-methoxyethyl)-N-(3-methylbutyl)-6-oxopiperidine-3-carboxamide
SB13-0352 Screening compound: 2-(4-fluorophenyl)-1-(2-methoxyethyl)-N-(3-methylbutyl)-6-oxopiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB13-0352
2-(4-fluorophenyl)-1-(2-methoxyethyl)-N-(3-methylbutyl)-6-oxopiperidine-3-carboxamide

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

SB13-0352

Molecular Formula

C20H29FN2O3 (C20 H29 FN2 O3)

Compound Name

2-(4-fluorophenyl)-1-(2-methoxyethyl)-N-(3-methylbutyl)-6-oxopiperidine-3-carboxamide

IUPAC name

(2R3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)-N-(3-methylbutyl)-6-oxopiperidine-3-carboxamide

SMILES

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

InChI

InChI=1S/C20H29FN2O3/c1-14(2)10-11-22-20(25)17-8-9-18(24)23(12-13-26-3)19(17)15-4-6-16(21)7-5-15/h4-7,14,17,19H,8-13H2,1-3H3,(H,22,25)/t17-,19+/m0/s1

InChI Key

NWOKXGDKKKAYCI-PKOBYXMFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.620

Distribution Coefficient, logD

2.620

Water Solubility, LogSw

-3.31

Polar Surface Area

49.319

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

SB13-0352 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with SB13-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB13-0352?
Check Price and Availability of SB13-0352, 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 SB13-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB13-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB13-0352
  • 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 SB13-0352 available by request