S063-0176 Screening compound: 4-[(3-methoxypyrazin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide

S063-0176 Screening compound: 4-[(3-methoxypyrazin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide
S063-0176 Screening compound: 4-[(3-methoxypyrazin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0176
4-[(3-methoxypyrazin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide

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

S063-0176

Molecular Formula

C12H21N5O3S (C12 H21 N5 O3 S)

Compound Name

4-[(3-methoxypyrazin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide

IUPAC name

4-[(3-methoxypyrazin-2-yl)amino]-NN-dimethylpiperidine-1-sulfonamide

SMILES

CN(C)S(N(CC1)CCC1Nc1nccnc1OC)(=O)=O

InChI

InChI=1S/C12H21N5O3S/c1-16(2)21(18,19)17-8-4-10(5-9-17)15-11-12(20-3)14-7-6-13-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,13,15)

InChI Key

SWBKBRULEYHVRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.732

Distribution Coefficient, logD

0.732

Water Solubility, LogSw

-2.05

Polar Surface Area

73.112

Acid Dissociation Constant (pKa)

19.33

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

S063-0176 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S063-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0176?
Check Price and Availability of S063-0176, 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 S063-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0176
  • 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 S063-0176 available by request