S531-0119 Screening compound: 1-OXO-N-(3-{[1-(PROPAN-2-YL)PIPERIDIN-4-YL]OXY}PROPYL)-1H,2H,3H,4H-PYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE

S531-0119 Screening compound: 1-OXO-N-(3-{[1-(PROPAN-2-YL)PIPERIDIN-4-YL]OXY}PROPYL)-1H,2H,3H,4H-PYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE
S531-0119 Screening compound: 1-OXO-N-(3-{[1-(PROPAN-2-YL)PIPERIDIN-4-YL]OXY}PROPYL)-1H,2H,3H,4H-PYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S531-0119
1-OXO-N-(3-{[1-(PROPAN-2-YL)PIPERIDIN-4-YL]OXY}PROPYL)-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

S531-0119

Molecular Formula

C19H30N4O3 (C19 H30 N4 O3)

Compound Name

1-OXO-N-(3-{[1-(PROPAN-2-YL)PIPERIDIN-4-YL]OXY}PROPYL)-1H,2H,3H,4H-PYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE

IUPAC name

1-oxo-N-(3-{[1-(propan-2-yl)piperidin-4-yl]oxy}propyl)-1H2H3H4H-pyrrolo[12-a]pyrazine-3-carboxamide

SMILES

CC(C)N(CC1)CCC1OCCCNC(C(Cn1c2ccc1)NC2=O)=O

InChI

InChI=1S/C19H30N4O3/c1-14(2)22-10-6-15(7-11-22)26-12-4-8-20-18(24)16-13-23-9-3-5-17(23)19(25)21-16/h3,5,9,14-16H,4,6-8,10-13H2,1-2H3,(H,20,24)(H,21,25)/t16-/m0/s1

InChI Key

WAAAPEZUBSVZOJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29014625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.421

Distribution Coefficient, logD

-2.342

Water Solubility, LogSw

-1.70

Polar Surface Area

63.346

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

10.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.40

S531-0119 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S531-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S531-0119?
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What is the minimum amount of S531-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S531-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S531-0119
  • 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 S531-0119 available by request