S839-0037 Screening compound: 2-[(3aS,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(3-pyridylmethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-1-ethanol

S839-0037 Screening compound: 2-[(3aS,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(3-pyridylmethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-1-ethanol
S839-0037 Screening compound: 2-[(3aS,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(3-pyridylmethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S839-0037
2-[(3aS,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(3-pyridylmethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-1-ethanol

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

S839-0037

Molecular Formula

C18H25N5O2 (C18 H25 N5 O2)

Compound Name

2-[(3aS,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(3-pyridylmethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-1-ethanol

IUPAC name

2-[(3aS7aR)-3a-(3-methyl-124-oxadiazol-5-yl)-5-[(pyridin-3-yl)methyl]-octahydro-1H-pyrrolo[34-c]pyridin-2-yl]ethan-1-ol

SMILES

Cc1noc([C@]2(CN(CCO)C3)[C@@H]3CCN(Cc3cnccc3)C2)n1

InChI

InChI=1S/C18H25N5O2/c1-14-20-17(25-21-14)18-12-22(10-15-3-2-5-19-9-15)6-4-16(18)11-23(13-18)7-8-24/h2-3,5,9,16,24H,4,6-8,10-13H2,1H3/t16-,18-/m1/s1

InChI Key

YNSHVAKQFJTOOQ-SJLPKXTDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.211

Distribution Coefficient, logD

-2.744

Water Solubility, LogSw

-0.31

Polar Surface Area

65.312

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

10.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S839-0037 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S839-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S839-0037?
Check Price and Availability of S839-0037, 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 S839-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S839-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S839-0037
  • 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 S839-0037 available by request