S831-2569 Screening compound: [1-(3-chlorobenzoyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methanol

S831-2569 Screening compound: [1-(3-chlorobenzoyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methanol
S831-2569 Screening compound: [1-(3-chlorobenzoyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-2569
[1-(3-chlorobenzoyl)-4-(pyridin-2-yl)pyrrolidin-3-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

S831-2569

Molecular Formula

C17H17ClN2O2 (C17 H17 ClN2 O2)

Compound Name

[1-(3-chlorobenzoyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methanol

IUPAC name

[(3S4S)-1-(3-chlorobenzoyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methanol

SMILES

OC[C@@H](CN(C1)C(c2cccc(Cl)c2)=O)[C@H]1c1ncccc1

InChI

InChI=1S/C17H17ClN2O2/c18-14-5-3-4-12(8-14)17(22)20-9-13(11-21)15(10-20)16-6-1-2-7-19-16/h1-8,13,15,21H,9-11H2/t13-,15+/m0/s1

InChI Key

PWBZXTXKWSBIQR-DZGCQCFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.79

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

1.777

Distribution Coefficient, logD

1.777

Water Solubility, LogSw

-2.42

Polar Surface Area

43.011

Acid Dissociation Constant (pKa)

16.43

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.41

S831-2569 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S831-2569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-2569?
Check Price and Availability of S831-2569, 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 S831-2569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-2569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-2569
  • 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 S831-2569 available by request