S974-2196 Screening compound: (3S,7S,8AS)-7-(DIMETHYLAMINO)-2-(4-METHOXY-2-METHYLBENZOYL)-3-METHYLHEXAHYDROPYRROLO[1,2-A]PYRAZIN-4(1H)-ONE

S974-2196 Screening compound: (3S,7S,8AS)-7-(DIMETHYLAMINO)-2-(4-METHOXY-2-METHYLBENZOYL)-3-METHYLHEXAHYDROPYRROLO[1,2-A]PYRAZIN-4(1H)-ONE
S974-2196 Screening compound: (3S,7S,8AS)-7-(DIMETHYLAMINO)-2-(4-METHOXY-2-METHYLBENZOYL)-3-METHYLHEXAHYDROPYRROLO[1,2-A]PYRAZIN-4(1H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-2196
(3S,7S,8AS)-7-(DIMETHYLAMINO)-2-(4-METHOXY-2-METHYLBENZOYL)-3-METHYLHEXAHYDROPYRROLO[1,2-A]PYRAZIN-4(1H)-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

S974-2196

Molecular Formula

C19H27N3O3 (C19 H27 N3 O3)

Compound Name

(3S,7S,8AS)-7-(DIMETHYLAMINO)-2-(4-METHOXY-2-METHYLBENZOYL)-3-METHYLHEXAHYDROPYRROLO[1,2-A]PYRAZIN-4(1H)-ONE

IUPAC name

(3S7S8aS)-7-(dimethylamino)-2-(4-methoxy-2-methylbenzoyl)-3-methyl-octahydropyrrolo[12-a]pyrazin-4-one

SMILES

C[C@@H](C(N(C[C@H](C1)N(C)C)[C@@H]1C1)=O)N1C(c(cc1)c(C)cc1OC)=O

InChI

InChI=1S/C19H27N3O3/c1-12-8-16(25-5)6-7-17(12)19(24)21-11-15-9-14(20(3)4)10-22(15)18(23)13(21)2/h6-8,13-15H,9-11H2,1-5H3/t13-,14+,15-/m0/s1

InChI Key

UHSJFGJAQYKCQK-ZNMIVQPWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.396

Distribution Coefficient, logD

-0.309

Water Solubility, LogSw

-2.27

Polar Surface Area

42.629

Acid Dissociation Constant (pKa)

20.53

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.90

S974-2196 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S974-2196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-2196?
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What is the minimum amount of S974-2196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-2196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-2196
  • 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 S974-2196 available by request