S531-0380 Screening compound: 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one

S531-0380 Screening compound: 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one
S531-0380 Screening compound: 2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S531-0380
2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-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

S531-0380

Molecular Formula

C16H23N3O3 (C16 H23 N3 O3)

Compound Name

2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one

IUPAC name

2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-1H2H3H4H-pyrrolo[12-a]pyrazin-1-one

SMILES

CC(C)CN(C(Cn1c2ccc1)C(N1CCOCC1)=O)C2=O

InChI

InChI=1S/C16H23N3O3/c1-12(2)10-19-14(15(20)17-6-8-22-9-7-17)11-18-5-3-4-13(18)16(19)21/h3-5,12,14H,6-11H2,1-2H3/t14-/m0/s1

InChI Key

VBSQBWQAUJVFTF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD28993965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.170

Distribution Coefficient, logD

1.170

Water Solubility, LogSw

-1.66

Polar Surface Area

43.360

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S531-0380 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S531-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S531-0380?
Check Price and Availability of S531-0380, 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 S531-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S531-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S531-0380
  • 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 S531-0380 available by request