S974-1831 Screening compound: N-[(7S,8aS)-2-(2-methylbenzoyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide

S974-1831 Screening compound: N-[(7S,8aS)-2-(2-methylbenzoyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
S974-1831 Screening compound: N-[(7S,8aS)-2-(2-methylbenzoyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-1831
N-[(7S,8aS)-2-(2-methylbenzoyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide

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

S974-1831

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

N-[(7S,8aS)-2-(2-methylbenzoyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide

IUPAC name

N-[(7S8aS)-2-(2-methylbenzoyl)-4-oxo-octahydropyrrolo[12-a]pyrazin-7-yl]acetamide

SMILES

CC(N[C@@H](C[C@H]1CN(C2)C(c3c(C)cccc3)=O)CN1C2=O)=O

InChI

InChI=1S/C17H21N3O3/c1-11-5-3-4-6-15(11)17(23)19-9-14-7-13(18-12(2)21)8-20(14)16(22)10-19/h3-6,13-14H,7-10H2,1-2H3,(H,18,21)/t13-,14+/m1/s1

InChI Key

REDRZTFKKGQIHQ-KGLIPLIRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.153

Distribution Coefficient, logD

0.153

Water Solubility, LogSw

-2.18

Polar Surface Area

57.859

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

S974-1831 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S974-1831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-1831?
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What is the minimum amount of S974-1831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-1831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-1831
  • 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 S974-1831 available by request