S531-0723 Screening compound: 3-(4-ethylpiperazine-1-carbonyl)-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one

S531-0723 Screening compound: 3-(4-ethylpiperazine-1-carbonyl)-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one
S531-0723 Screening compound: 3-(4-ethylpiperazine-1-carbonyl)-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S531-0723
3-(4-ethylpiperazine-1-carbonyl)-2-[(pyridin-3-yl)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

S531-0723

Molecular Formula

C20H25N5O2 (C20 H25 N5 O2)

Compound Name

3-(4-ethylpiperazine-1-carbonyl)-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one

IUPAC name

3-(4-ethylpiperazine-1-carbonyl)-2-[(pyridin-3-yl)methyl]-1H2H3H4H-pyrrolo[12-a]pyrazin-1-one

SMILES

CCN(CC1)CCN1C(C(Cn1c2ccc1)N(Cc1cnccc1)C2=O)=O

InChI

InChI=1S/C20H25N5O2/c1-2-22-9-11-23(12-10-22)19(26)18-15-24-8-4-6-17(24)20(27)25(18)14-16-5-3-7-21-13-16/h3-8,13,18H,2,9-12,14-15H2,1H3/t18-/m0/s1

InChI Key

PRNDRSKJCQHPAD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29008624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.285

Distribution Coefficient, logD

0.029

Water Solubility, LogSw

-0.47

Polar Surface Area

48.235

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

S531-0723 in Drug Discovery

Included in Screening Libraries

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 S531-0723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S531-0723?
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What is the minimum amount of S531-0723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S531-0723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S531-0723
  • 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 S531-0723 available by request