S063-0171 Screening compound: 3-methoxy-N-[1-(thiophene-2-sulfonyl)piperidin-4-yl]pyrazin-2-amine

S063-0171 Screening compound: 3-methoxy-N-[1-(thiophene-2-sulfonyl)piperidin-4-yl]pyrazin-2-amine
S063-0171 Screening compound: 3-methoxy-N-[1-(thiophene-2-sulfonyl)piperidin-4-yl]pyrazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0171
3-methoxy-N-[1-(thiophene-2-sulfonyl)piperidin-4-yl]pyrazin-2-amine

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

S063-0171

Molecular Formula

C14H18N4O3S2 (C14 H18 N4 O3 S2)

Compound Name

3-methoxy-N-[1-(thiophene-2-sulfonyl)piperidin-4-yl]pyrazin-2-amine

IUPAC name

3-methoxy-N-[1-(thiophene-2-sulfonyl)piperidin-4-yl]pyrazin-2-amine

SMILES

COc1nccnc1NC(CC1)CCN1S(c1cccs1)(=O)=O

InChI

InChI=1S/C14H18N4O3S2/c1-21-14-13(15-6-7-16-14)17-11-4-8-18(9-5-11)23(19,20)12-3-2-10-22-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,15,17)

InChI Key

CAYHPWWTCUIONH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.104

Distribution Coefficient, logD

2.104

Water Solubility, LogSw

-2.49

Polar Surface Area

69.772

Acid Dissociation Constant (pKa)

19.33

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

S063-0171 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S063-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0171?
Check Price and Availability of S063-0171, 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 S063-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0171
  • 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 S063-0171 available by request