S974-4898 Screening compound: N-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(2-methylpropyl)-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide

S974-4898 Screening compound: N-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(2-methylpropyl)-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
S974-4898 Screening compound: N-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(2-methylpropyl)-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-4898
N-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(2-methylpropyl)-4-oxo-octahydropyrrolo[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

S974-4898

Molecular Formula

C18H28N4O5S (C18 H28 N4 O5 S)

Compound Name

N-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(2-methylpropyl)-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide

IUPAC name

N-[(3S7S8aS)-2-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-3-(2-methylpropyl)-4-oxo-octahydropyrrolo[12-a]pyrazin-7-yl]acetamide

SMILES

CC(C)C[C@@H](C(N(C[C@H](C1)NC(C)=O)[C@@H]1C1)=O)N1S(c1c(C)onc1C)(=O)=O

InChI

InChI=1S/C18H28N4O5S/c1-10(2)6-16-18(24)21-8-14(19-13(5)23)7-15(21)9-22(16)28(25,26)17-11(3)20-27-12(17)4/h10,14-16H,6-9H2,1-5H3,(H,19,23)/t14-,15-,16+/m1/s1

InChI Key

FJVIYKSTMXEIGR-OAGGEKHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.407

Distribution Coefficient, logD

0.407

Water Solubility, LogSw

-1.85

Polar Surface Area

94.996

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

72.22

S974-4898 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S974-4898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-4898?
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What is the minimum amount of S974-4898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-4898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-4898
  • 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 S974-4898 available by request