S997-1656 Screening compound: 1-[7a-(methoxymethyl)-5-(5-methylthiophene-2-carbonyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one

S997-1656 Screening compound: 1-[7a-(methoxymethyl)-5-(5-methylthiophene-2-carbonyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
S997-1656 Screening compound: 1-[7a-(methoxymethyl)-5-(5-methylthiophene-2-carbonyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S997-1656
1-[7a-(methoxymethyl)-5-(5-methylthiophene-2-carbonyl)-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

S997-1656

Molecular Formula

C17H24N2O3S (C17 H24 N2 O3 S)

Compound Name

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

IUPAC name

1-[(3aS7aS)-7a-(methoxymethyl)-5-(5-methylthiophene-2-carbonyl)-octahydro-1H-pyrrolo[34-c]pyridin-2-yl]ethan-1-one

SMILES

CC(N(C1)C[C@@](COC)(CC2)[C@H]1CN2C(c1ccc(C)s1)=O)=O

InChI

InChI=1S/C17H24N2O3S/c1-12-4-5-15(23-12)16(21)18-7-6-17(11-22-3)10-19(13(2)20)9-14(17)8-18/h4-5,14H,6-11H2,1-3H3/t14-,17+/m0/s1

InChI Key

NGMVNPBLGFPWJY-WMLDXEAASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.46

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

1.743

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-2.23

Polar Surface Area

43.611

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.71

S997-1656 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S997-1656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S997-1656?
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What is the minimum amount of S997-1656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S997-1656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S997-1656
  • 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 S997-1656 available by request