S997-0879 Screening compound: 1-[7a-(methoxymethyl)-5-[(pyridin-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one

S997-0879 Screening compound: 1-[7a-(methoxymethyl)-5-[(pyridin-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
S997-0879 Screening compound: 1-[7a-(methoxymethyl)-5-[(pyridin-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S997-0879
1-[7a-(methoxymethyl)-5-[(pyridin-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridin-2-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

S997-0879

Molecular Formula

C17H25N3O2 (C17 H25 N3 O2)

Compound Name

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

IUPAC name

1-[(3aR7aS)-7a-(methoxymethyl)-5-[(pyridin-2-yl)methyl]-octahydro-1H-pyrrolo[34-c]pyridin-2-yl]ethan-1-one

SMILES

CC(N(C1)C[C@]2(COC)[C@H]1CN(Cc1ncccc1)CC2)=O

InChI

InChI=1S/C17H25N3O2/c1-14(21)20-10-15-9-19(11-16-5-3-4-7-18-16)8-6-17(15,12-20)13-22-2/h3-5,7,15H,6,8-13H2,1-2H3/t15-,17-/m1/s1

InChI Key

QSUOGIDVKJTSAQ-NVXWUHKLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.451

Distribution Coefficient, logD

-0.547

Water Solubility, LogSw

-1.21

Polar Surface Area

39.220

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.71

S997-0879 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S997-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S997-0879?
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What is the minimum amount of S997-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S997-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S997-0879
  • 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 S997-0879 available by request