S055-1000 Screening compound: N-[(2-ethoxypyridin-3-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

S055-1000 Screening compound: N-[(2-ethoxypyridin-3-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
S055-1000 Screening compound: N-[(2-ethoxypyridin-3-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S055-1000
N-[(2-ethoxypyridin-3-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

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

S055-1000

Molecular Formula

C20H23N3O2 (C20 H23 N3 O2)

Compound Name

N-[(2-ethoxypyridin-3-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

IUPAC name

N-[(2-ethoxypyridin-3-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

SMILES

CCOc1c(CN(C)C(CCc2c[nH]c3c2cccc3)=O)cccn1

InChI

InChI=1S/C20H23N3O2/c1-3-25-20-16(7-6-12-21-20)14-23(2)19(24)11-10-15-13-22-18-9-5-4-8-17(15)18/h4-9,12-13,22H,3,10-11,14H2,1-2H3

InChI Key

HTZZIMFAJQMLPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.692

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-3.79

Polar Surface Area

42.661

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S055-1000 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S055-1000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S055-1000?
Check Price and Availability of S055-1000, 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 S055-1000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S055-1000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S055-1000
  • 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 S055-1000 available by request