S056-0113 Screening compound: N-tert-butyl-4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide

S056-0113 Screening compound: N-tert-butyl-4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide
S056-0113 Screening compound: N-tert-butyl-4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0113
N-tert-butyl-4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-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

S056-0113

Molecular Formula

C16H26N4O2 (C16 H26 N4 O2)

Compound Name

N-tert-butyl-4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide

IUPAC name

N-tert-butyl-4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide

SMILES

CC(C)(C)NC(N1CCN(Cc(cc2)cnc2OC)CC1)=O

InChI

InChI=1S/C16H26N4O2/c1-16(2,3)18-15(21)20-9-7-19(8-10-20)12-13-5-6-14(22-4)17-11-13/h5-6,11H,7-10,12H2,1-4H3,(H,18,21)

InChI Key

WHJKUTSOMFNCRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.666

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-2.14

Polar Surface Area

46.247

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

S056-0113 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S056-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0113?
Check Price and Availability of S056-0113, 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 S056-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0113
  • 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 S056-0113 available by request