S056-0347 Screening compound: N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1H-indole-5-carboxamide

S056-0347 Screening compound: N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1H-indole-5-carboxamide
S056-0347 Screening compound: N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0347
N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1H-indole-5-carboxamide

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

S056-0347

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1H-indole-5-carboxamide

IUPAC name

N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1H-indole-5-carboxamide

SMILES

COc1ncc(CN(CC2)CC2NC(c(cc2)cc3c2[nH]cc3)=O)cc1

InChI

InChI=1S/C20H22N4O2/c1-26-19-5-2-14(11-22-19)12-24-9-7-17(13-24)23-20(25)16-3-4-18-15(10-16)6-8-21-18/h2-6,8,10-11,17,21H,7,9,12-13H2,1H3,(H,23,25)/t17-/m0/s1

InChI Key

UHPDGOKMIJOMOK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29030831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-2.65

Polar Surface Area

54.580

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

S056-0347 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S056-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0347?
Check Price and Availability of S056-0347, 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 S056-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0347
  • 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 S056-0347 available by request