S997-0717 Screening compound: 2-methanesulfonyl-7a-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridine

S997-0717 Screening compound: 2-methanesulfonyl-7a-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridine
S997-0717 Screening compound: 2-methanesulfonyl-7a-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S997-0717
2-methanesulfonyl-7a-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridine

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

S997-0717

Molecular Formula

C16H26N2O4S (C16 H26 N2 O4 S)

Compound Name

2-methanesulfonyl-7a-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-octahydro-1H-pyrrolo[3,4-c]pyridine

IUPAC name

(3aR7aS)-2-methanesulfonyl-7a-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-octahydro-1H-pyrrolo[34-c]pyridine

SMILES

Cc1ccc(CN2C[C@@H](CN(C3)S(C)(=O)=O)[C@]3(COC)CC2)o1

InChI

InChI=1S/C16H26N2O4S/c1-13-4-5-15(22-13)10-17-7-6-16(12-21-2)11-18(23(3,19)20)9-14(16)8-17/h4-5,14H,6-12H2,1-3H3/t14-,16-/m1/s1

InChI Key

OXCQGSZTQRCUDI-GDBMZVCRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.204

Distribution Coefficient, logD

-0.293

Water Solubility, LogSw

-2.13

Polar Surface Area

51.027

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

S997-0717 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S997-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S997-0717?
Check Price and Availability of S997-0717, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S997-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S997-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S997-0717
  • 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 S997-0717 available by request