SB13-0002 Screening compound: 2-(4-methoxyphenyl)-1-methyl-N-[3-(morpholin-4-yl)propyl]-6-oxopiperidine-3-carboxamide

SB13-0002 Screening compound: 2-(4-methoxyphenyl)-1-methyl-N-[3-(morpholin-4-yl)propyl]-6-oxopiperidine-3-carboxamide
SB13-0002 Screening compound: 2-(4-methoxyphenyl)-1-methyl-N-[3-(morpholin-4-yl)propyl]-6-oxopiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB13-0002
2-(4-methoxyphenyl)-1-methyl-N-[3-(morpholin-4-yl)propyl]-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

SB13-0002

Molecular Formula

C21H31N3O4 (C21 H31 N3 O4)

Compound Name

2-(4-methoxyphenyl)-1-methyl-N-[3-(morpholin-4-yl)propyl]-6-oxopiperidine-3-carboxamide

IUPAC name

(2R3R)-2-(4-methoxyphenyl)-1-methyl-N-[3-(morpholin-4-yl)propyl]-6-oxopiperidine-3-carboxamide

SMILES

CN([C@@H]([C@H](CC1)C(NCCCN2CCOCC2)=O)c(cc2)ccc2OC)C1=O

InChI

InChI=1S/C21H31N3O4/c1-23-19(25)9-8-18(20(23)16-4-6-17(27-2)7-5-16)21(26)22-10-3-11-24-12-14-28-15-13-24/h4-7,18,20H,3,8-15H2,1-2H3,(H,22,26)/t18-,20-/m1/s1

InChI Key

RDFPKUAYZBXPCF-UYAOXDASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.507

Distribution Coefficient, logD

0.083

Water Solubility, LogSw

-2.21

Polar Surface Area

59.927

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

SB13-0002 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 SB13-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB13-0002?
Check Price and Availability of SB13-0002, 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 SB13-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB13-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB13-0002
  • 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 SB13-0002 available by request