S974-2371 Screening compound: 2-[(2,4-dimethoxyphenyl)methyl]-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one

S974-2371 Screening compound: 2-[(2,4-dimethoxyphenyl)methyl]-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one
S974-2371 Screening compound: 2-[(2,4-dimethoxyphenyl)methyl]-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-2371
2-[(2,4-dimethoxyphenyl)methyl]-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-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

S974-2371

Molecular Formula

C19H29N3O3 (C19 H29 N3 O3)

Compound Name

2-[(2,4-dimethoxyphenyl)methyl]-7-(dimethylamino)-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one

IUPAC name

(3S7S8aS)-2-[(24-dimethoxyphenyl)methyl]-7-(dimethylamino)-3-methyl-octahydropyrrolo[12-a]pyrazin-4-one

SMILES

C[C@@H]1N(Cc(ccc(OC)c2)c2OC)C[C@H](C[C@@H](C2)N(C)C)N2C1=O

InChI

InChI=1S/C19H29N3O3/c1-13-19(23)22-12-15(20(2)3)8-16(22)11-21(13)10-14-6-7-17(24-4)9-18(14)25-5/h6-7,9,13,15-16H,8,10-12H2,1-5H3/t13-,15+,16-/m0/s1

InChI Key

HNGPFANLAMPOGY-IMJJTQAJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.312

Distribution Coefficient, logD

-0.400

Water Solubility, LogSw

-2.16

Polar Surface Area

37.509

Acid Dissociation Constant (pKa)

20.53

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

63.16

S974-2371 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with S974-2371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-2371?
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What is the minimum amount of S974-2371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-2371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-2371
  • 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 S974-2371 available by request