S582-0149 Screening compound: 3-(aminomethyl)-2-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one

S582-0149 Screening compound: 3-(aminomethyl)-2-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one
S582-0149 Screening compound: 3-(aminomethyl)-2-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S582-0149
3-(aminomethyl)-2-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one

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

S582-0149

Molecular Formula

C9H13N3O (C9 H13 N3 O)

Compound Name

3-(aminomethyl)-2-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one

IUPAC name

3-(aminomethyl)-2-methyl-1H2H3H4H-pyrrolo[12-a]pyrazin-1-one

SMILES

CN(C(CN)Cn1c2ccc1)C2=O

InChI

InChI=1S/C9H13N3O/c1-11-7(5-10)6-12-4-2-3-8(12)9(11)13/h2-4,7H,5-6,10H2,1H3/t7-/m0/s1

InChI Key

LTPNIBJYDJTQNJ-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD28897716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

179.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-1.045

Distribution Coefficient, logD

-2.031

Water Solubility, LogSw

-1.00

Polar Surface Area

40.182

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

8.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S582-0149 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 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

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S582-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S582-0149?
Check Price and Availability of S582-0149, 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 S582-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S582-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S582-0149
  • 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 S582-0149 available by request