G554-1526 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzamide

G554-1526 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzamide
G554-1526 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G554-1526
N-[2-(1H-indol-3-yl)ethyl]-4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzamide

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

G554-1526

Molecular Formula

C27H34N4O3S (C27 H34 N4 O3 S)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzamide

SMILES

O=C(c(cc1)cc(S(N2CCCCC2)(=O)=O)c1N1CCCCC1)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C27H34N4O3S/c32-27(28-14-13-22-20-29-24-10-4-3-9-23(22)24)21-11-12-25(30-15-5-1-6-16-30)26(19-21)35(33,34)31-17-7-2-8-18-31/h3-4,9-12,19-20,29H,1-2,5-8,13-18H2,(H,28,32)

InChI Key

IEZOSDQGNMKEGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15019606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.15

Polar Surface Area

69.227

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

G554-1526 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G554-1526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G554-1526?
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What is the minimum amount of G554-1526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G554-1526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G554-1526
  • 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 G554-1526 available by request