P396-0013 Screening compound: 3-{[1-(furan-3-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyrazin-2-amine

P396-0013 Screening compound: 3-{[1-(furan-3-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyrazin-2-amine
P396-0013 Screening compound: 3-{[1-(furan-3-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyrazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P396-0013
3-{[1-(furan-3-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyrazin-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

P396-0013

Molecular Formula

C15H18N4O3 (C15 H18 N4 O3)

Compound Name

3-{[1-(furan-3-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyrazin-2-amine

IUPAC name

3-{[1-(furan-3-carbonyl)pyrrolidin-3-yl]oxy}-NN-dimethylpyrazin-2-amine

SMILES

CN(C)c1nccnc1OC(CC1)CN1C(c1cocc1)=O

InChI

InChI=1S/C15H18N4O3/c1-18(2)13-14(17-6-5-16-13)22-12-3-7-19(9-12)15(20)11-4-8-21-10-11/h4-6,8,10,12H,3,7,9H2,1-2H3/t12-/m1/s1

InChI Key

VOIXACMMUAXLQG-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD28994663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.180

Distribution Coefficient, logD

1.180

Water Solubility, LogSw

-1.62

Polar Surface Area

52.842

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

P396-0013 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Eye
  • Nervous system
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P396-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P396-0013?
Check Price and Availability of P396-0013, 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 P396-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P396-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P396-0013
  • 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 P396-0013 available by request