S831-0156 Screening compound: 4-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]-2-methylpyridine

S831-0156 Screening compound: 4-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]-2-methylpyridine
S831-0156 Screening compound: 4-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]-2-methylpyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-0156
4-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]-2-methylpyridine

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

S831-0156

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

4-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]-2-methylpyridine

IUPAC name

4-[(3S4S)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]-2-methylpyridine

SMILES

Cc1nccc(C(N(C[C@@H]2COC)C[C@@H]2c2ncccc2)=O)c1

InChI

InChI=1S/C18H21N3O2/c1-13-9-14(6-8-19-13)18(22)21-10-15(12-23-2)16(11-21)17-5-3-4-7-20-17/h3-9,15-16H,10-12H2,1-2H3/t15-,16+/m0/s1

InChI Key

GPRZTBZQWUADKS-JKSUJKDBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

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

0.992

Distribution Coefficient, logD

0.980

Water Solubility, LogSw

-2.00

Polar Surface Area

43.174

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.89

S831-0156 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S831-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-0156?
Check Price and Availability of S831-0156, 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 S831-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-0156
  • 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 S831-0156 available by request