S974-3010 Screening compound: N-{2-acetyl-3-methyl-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}-3-methylbenzamide

S974-3010 Screening compound: N-{2-acetyl-3-methyl-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}-3-methylbenzamide
S974-3010 Screening compound: N-{2-acetyl-3-methyl-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-3010
N-{2-acetyl-3-methyl-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}-3-methylbenzamide

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

S974-3010

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

N-{2-acetyl-3-methyl-4-oxo-octahydropyrrolo[1,2-a]pyrazin-7-yl}-3-methylbenzamide

IUPAC name

N-[(3S7S8aS)-2-acetyl-3-methyl-4-oxo-octahydropyrrolo[12-a]pyrazin-7-yl]-3-methylbenzamide

SMILES

C[C@@H](C(N(C[C@H](C1)NC(c2cc(C)ccc2)=O)[C@@H]1C1)=O)N1C(C)=O

InChI

InChI=1S/C18H23N3O3/c1-11-5-4-6-14(7-11)17(23)19-15-8-16-10-20(13(3)22)12(2)18(24)21(16)9-15/h4-7,12,15-16H,8-10H2,1-3H3,(H,19,23)/t12-,15+,16-/m0/s1

InChI Key

DALZZXFXZIQOOC-MAZHCROVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

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

0.695

Distribution Coefficient, logD

0.695

Water Solubility, LogSw

-1.87

Polar Surface Area

57.325

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

S974-3010 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 S974-3010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-3010?
Check Price and Availability of S974-3010, 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 S974-3010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-3010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-3010
  • 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 S974-3010 available by request