S974-2393 Screening compound: 7-(dimethylamino)-2-[(4-fluoro-3-methoxyphenyl)methyl]-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one

S974-2393 Screening compound: 7-(dimethylamino)-2-[(4-fluoro-3-methoxyphenyl)methyl]-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one
S974-2393 Screening compound: 7-(dimethylamino)-2-[(4-fluoro-3-methoxyphenyl)methyl]-3-methyl-octahydropyrrolo[1,2-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-2393
7-(dimethylamino)-2-[(4-fluoro-3-methoxyphenyl)methyl]-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

S974-2393

Molecular Formula

C18H26FN3O2 (C18 H26 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

C[C@@H]1N(Cc(cc2)cc(OC)c2F)C[C@H](C[C@@H](C2)N(C)C)N2C1=O

InChI

InChI=1S/C18H26FN3O2/c1-12-18(23)22-11-14(20(2)3)8-15(22)10-21(12)9-13-5-6-16(19)17(7-13)24-4/h5-7,12,14-15H,8-11H2,1-4H3/t12-,14+,15+/m0/s1

InChI Key

AHIOJGHZBQKMTF-NWANDNLSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.282

Distribution Coefficient, logD

-0.430

Water Solubility, LogSw

-2.13

Polar Surface Area

29.965

Acid Dissociation Constant (pKa)

20.53

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.11

S974-2393 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with S974-2393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-2393?
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What is the minimum amount of S974-2393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-2393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-2393
  • 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 S974-2393 available by request