SB13-0135 Screening compound: 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]piperidine-3-carboxamide

SB13-0135 Screening compound: 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]piperidine-3-carboxamide
SB13-0135 Screening compound: 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB13-0135
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]piperidine-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

SB13-0135

Molecular Formula

C19H24N4O3 (C19 H24 N4 O3)

Compound Name

2-(4-methoxyphenyl)-1-methyl-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]piperidine-3-carboxamide

IUPAC name

(2R3R)-2-(4-methoxyphenyl)-1-methyl-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]piperidine-3-carboxamide

SMILES

CN([C@@H]([C@H](CC1)C(NCCn2nccc2)=O)c(cc2)ccc2OC)C1=O

InChI

InChI=1S/C19H24N4O3/c1-22-17(24)9-8-16(18(22)14-4-6-15(26-2)7-5-14)19(25)20-11-13-23-12-3-10-21-23/h3-7,10,12,16,18H,8-9,11,13H2,1-2H3,(H,20,25)/t16-,18-/m1/s1

InChI Key

DPHGSXITNGXHHD-SJLPKXTDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.502

Distribution Coefficient, logD

0.502

Water Solubility, LogSw

-2.26

Polar Surface Area

62.809

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

SB13-0135 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB13-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB13-0135?
Check Price and Availability of SB13-0135, 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 SB13-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB13-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB13-0135
  • 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 SB13-0135 available by request