S831-0374 Screening compound: 2-{(3S,4S)-4-[(3-pyridyloxy)methyl]tetrahydro-1H-pyrrol-3-yl}pyridine

S831-0374 Screening compound: 2-{(3S,4S)-4-[(3-pyridyloxy)methyl]tetrahydro-1H-pyrrol-3-yl}pyridine
S831-0374 Screening compound: 2-{(3S,4S)-4-[(3-pyridyloxy)methyl]tetrahydro-1H-pyrrol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-0374
2-{(3S,4S)-4-[(3-pyridyloxy)methyl]tetrahydro-1H-pyrrol-3-yl}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

S831-0374

Molecular Formula

C15H17N3O (C15 H17 N3 O)

Compound Name

2-{(3S,4S)-4-[(3-pyridyloxy)methyl]tetrahydro-1H-pyrrol-3-yl}pyridine

IUPAC name

n/a

SMILES

C([C@@H](CNC1)[C@H]1c1ncccc1)Oc1cnccc1

InChI

InChI=1S/C15H17N3O/c1-2-7-18-15(5-1)14-10-17-8-12(14)11-19-13-4-3-6-16-9-13/h1-7,9,12,14,17H,8,10-11H2/t12-,14+/m1/s1

InChI Key

KNDAFCFWTIIHFH-OCCSQVGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

255.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.177

Distribution Coefficient, logD

-1.992

Water Solubility, LogSw

-1.53

Polar Surface Area

38.141

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

10.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

S831-0374 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with S831-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-0374?
Check Price and Availability of S831-0374, 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 S831-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-0374
  • 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 S831-0374 available by request