S997-0342 Screening compound: 1-[7a-(hydroxymethyl)-2-[(6-methoxypyridin-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one

S997-0342 Screening compound: 1-[7a-(hydroxymethyl)-2-[(6-methoxypyridin-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
S997-0342 Screening compound: 1-[7a-(hydroxymethyl)-2-[(6-methoxypyridin-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S997-0342
1-[7a-(hydroxymethyl)-2-[(6-methoxypyridin-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-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

S997-0342

Molecular Formula

C17H25N3O3 (C17 H25 N3 O3)

Compound Name

1-[7a-(hydroxymethyl)-2-[(6-methoxypyridin-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one

IUPAC name

1-[(3aS7aS)-7a-(hydroxymethyl)-2-[(6-methoxypyridin-2-yl)methyl]-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]ethan-1-one

SMILES

CC(N1C[C@@H](CN(Cc2nc(OC)ccc2)C2)[C@]2(CO)CC1)=O

InChI

InChI=1S/C17H25N3O3/c1-13(22)20-7-6-17(12-21)11-19(8-14(17)9-20)10-15-4-3-5-16(18-15)23-2/h3-5,14,21H,6-12H2,1-2H3/t14-,17-/m1/s1

InChI Key

JDWVYNPNSDJDQS-RHSMWYFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.691

Distribution Coefficient, logD

-4.091

Water Solubility, LogSw

-1.26

Polar Surface Area

54.924

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

12.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.71

S997-0342 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S997-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S997-0342?
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What is the minimum amount of S997-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S997-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S997-0342
  • 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 S997-0342 available by request