S063-0328 Screening compound: N-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-propoxypyrazin-2-amine

S063-0328 Screening compound: N-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-propoxypyrazin-2-amine
S063-0328 Screening compound: N-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-propoxypyrazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0328
N-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-propoxypyrazin-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

S063-0328

Molecular Formula

C18H25N5O2 (C18 H25 N5 O2)

Compound Name

N-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-propoxypyrazin-2-amine

IUPAC name

N-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-3-propoxypyrazin-2-amine

SMILES

CCCOc1nccnc1NC(CC1)CCN1C(c1cccn1C)=O

InChI

InChI=1S/C18H25N5O2/c1-3-13-25-17-16(19-8-9-20-17)21-14-6-11-23(12-7-14)18(24)15-5-4-10-22(15)2/h4-5,8-10,14H,3,6-7,11-13H2,1-2H3,(H,19,21)

InChI Key

LXBRALXGTYEURG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.041

Distribution Coefficient, logD

3.040

Water Solubility, LogSw

-3.10

Polar Surface Area

55.982

Acid Dissociation Constant (pKa)

19.35

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S063-0328 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 S063-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0328?
Check Price and Availability of S063-0328, 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 S063-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0328
  • 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 S063-0328 available by request