S531-0249 Screening compound: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

S531-0249 Screening compound: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
S531-0249 Screening compound: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S531-0249
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

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

S531-0249

Molecular Formula

C15H19N5O2 (C15 H19 N5 O2)

Compound Name

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

IUPAC name

N-[(35-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-oxo-1H2H3H4H-pyrrolo[12-a]pyrazine-3-carboxamide

SMILES

Cc1c(CNC(C(Cn2c3ccc2)N(C)C3=O)=O)c(C)n[nH]1

InChI

InChI=1S/C15H19N5O2/c1-9-11(10(2)18-17-9)7-16-14(21)13-8-20-6-4-5-12(20)15(22)19(13)3/h4-6,13H,7-8H2,1-3H3,(H,16,21)(H,17,18)/t13-/m0/s1

InChI Key

OSQSEYAAOYIVCC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29014627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.337

Distribution Coefficient, logD

0.337

Water Solubility, LogSw

-1.55

Polar Surface Area

66.898

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S531-0249 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S531-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S531-0249?
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What is the minimum amount of S531-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S531-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S531-0249
  • 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 S531-0249 available by request