S063-0074 Screening compound: 4-{4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carbonyl}benzonitrile

S063-0074 Screening compound: 4-{4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carbonyl}benzonitrile
S063-0074 Screening compound: 4-{4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0074
4-{4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carbonyl}benzonitrile

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

S063-0074

Molecular Formula

C18H19N5O2 (C18 H19 N5 O2)

Compound Name

4-{4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carbonyl}benzonitrile

IUPAC name

4-{4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carbonyl}benzonitrile

SMILES

COc1nccnc1NC(CC1)CCN1C(c(cc1)ccc1C#N)=O

InChI

InChI=1S/C18H19N5O2/c1-25-17-16(20-8-9-21-17)22-15-6-10-23(11-7-15)18(24)14-4-2-13(12-19)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,20,22)

InChI Key

GFVVVWRFVMDRAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.824

Distribution Coefficient, logD

1.823

Water Solubility, LogSw

-2.05

Polar Surface Area

70.747

Acid Dissociation Constant (pKa)

19.33

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S063-0074 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S063-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0074?
Check Price and Availability of S063-0074, 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 S063-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0074
  • 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 S063-0074 available by request