S824-3354 Screening compound: 4-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]-1H-indole

S824-3354 Screening compound: 4-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]-1H-indole
S824-3354 Screening compound: 4-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-3354
4-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]-1H-indole

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

S824-3354

Molecular Formula

C20H21N3O2 (C20 H21 N3 O2)

Compound Name

4-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]-1H-indole

IUPAC name

4-[(3S4R)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]-1H-indole

SMILES

COC[C@@H](CN(C1)C(c2c(cc[nH]3)c3ccc2)=O)[C@H]1c1ccncc1

InChI

InChI=1S/C20H21N3O2/c1-25-13-15-11-23(12-18(15)14-5-8-21-9-6-14)20(24)17-3-2-4-19-16(17)7-10-22-19/h2-10,15,18,22H,11-13H2,1H3/t15-,18-/m0/s1

InChI Key

FKMDLLLCEOYSDI-YJBOKZPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.122

Distribution Coefficient, logD

2.015

Water Solubility, LogSw

-2.90

Polar Surface Area

44.481

Acid Dissociation Constant (pKa)

17.81

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

S824-3354 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S824-3354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-3354?
Check Price and Availability of S824-3354, 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 S824-3354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-3354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-3354
  • 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 S824-3354 available by request