S634-0227 Screening compound: N~3~-(2-methoxyethyl)-2-(3-piperidyl)-N~3~-(2-thienylmethyl)-1H-pyrrole-3-carboxamide

S634-0227 Screening compound: N~3~-(2-methoxyethyl)-2-(3-piperidyl)-N~3~-(2-thienylmethyl)-1H-pyrrole-3-carboxamide
S634-0227 Screening compound: N~3~-(2-methoxyethyl)-2-(3-piperidyl)-N~3~-(2-thienylmethyl)-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S634-0227
N~3~-(2-methoxyethyl)-2-(3-piperidyl)-N~3~-(2-thienylmethyl)-1H-pyrrole-3-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

S634-0227

Molecular Formula

C18H25N3O2S (C18 H25 N3 O2 S)

Compound Name

N~3~-(2-methoxyethyl)-2-(3-piperidyl)-N~3~-(2-thienylmethyl)-1H-pyrrole-3-carboxamide

IUPAC name

N-(2-methoxyethyl)-2-(piperidin-3-yl)-N-[(thiophen-2-yl)methyl]-1H-pyrrole-3-carboxamide

SMILES

COCCN(Cc1cccs1)C(c1c(C2CNCCC2)[nH]cc1)=O

InChI

InChI=1S/C18H25N3O2S/c1-23-10-9-21(13-15-5-3-11-24-15)18(22)16-6-8-20-17(16)14-4-2-7-19-12-14/h3,5-6,8,11,14,19-20H,2,4,7,9-10,12-13H2,1H3/t14-/m0/s1

InChI Key

SMTBFYOGQUXSEO-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

347.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.406

Distribution Coefficient, logD

-0.137

Water Solubility, LogSw

-2.32

Polar Surface Area

48.438

Acid Dissociation Constant (pKa)

16.71

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S634-0227 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S634-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S634-0227?
Check Price and Availability of S634-0227, 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 S634-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S634-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S634-0227
  • 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 S634-0227 available by request