S997-1120 Screening compound: {5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-7a-yl}methanol

S997-1120 Screening compound: {5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-7a-yl}methanol
S997-1120 Screening compound: {5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-7a-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S997-1120
{5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-7a-yl}methanol

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

S997-1120

Molecular Formula

C15H26N4O3S (C15 H26 N4 O3 S)

Compound Name

{5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-7a-yl}methanol

IUPAC name

[(3aR7aS)-5-[(13-dimethyl-1H-pyrazol-5-yl)methyl]-2-methanesulfonyl-octahydro-1H-pyrrolo[34-c]pyridin-7a-yl]methanol

SMILES

Cc1nn(C)c(CN2C[C@@H](CN(C3)S(C)(=O)=O)[C@]3(CO)CC2)c1

InChI

InChI=1S/C15H26N4O3S/c1-12-6-14(17(2)16-12)9-18-5-4-15(11-20)10-19(23(3,21)22)8-13(15)7-18/h6,13,20H,4-5,7-11H2,1-3H3/t13-,15-/m1/s1

InChI Key

NEEDAXDKHYBHSU-UKRRQHHQSA-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

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.796

Distribution Coefficient, logD

-2.553

Water Solubility, LogSw

-1.26

Polar Surface Area

66.259

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

80.00

S997-1120 in Drug Discovery

Included in Screening Libraries

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 S997-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S997-1120?
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What is the minimum amount of S997-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S997-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S997-1120
  • 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 S997-1120 available by request