S259-4316 Screening compound: N~2~-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide

S259-4316 Screening compound: N~2~-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide
S259-4316 Screening compound: N~2~-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-4316
N~2~-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide

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

S259-4316

Molecular Formula

C15H19N5O2 (C15 H19 N5 O2)

Compound Name

N~2~-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide

IUPAC name

N-{1-[(35-dimethyl-12-oxazol-4-yl)methyl]pyrrolidin-3-yl}pyrazine-2-carboxamide

SMILES

Cc1noc(C)c1CN(CC1)CC1NC(c1nccnc1)=O

InChI

InChI=1S/C15H19N5O2/c1-10-13(11(2)22-19-10)9-20-6-3-12(8-20)18-15(21)14-7-16-4-5-17-14/h4-5,7,12H,3,6,8-9H2,1-2H3,(H,18,21)/t12-/m0/s1

InChI Key

KJWIYRYAOOQMLO-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.102

Distribution Coefficient, logD

-2.459

Water Solubility, LogSw

-1.37

Polar Surface Area

68.821

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S259-4316 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S259-4316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-4316?
Check Price and Availability of S259-4316, 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 S259-4316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-4316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-4316
  • 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 S259-4316 available by request