S634-1338 Screening compound: 2-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-1H-pyrrole-3-carboxamide

S634-1338 Screening compound: 2-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-1H-pyrrole-3-carboxamide
S634-1338 Screening compound: 2-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S634-1338
2-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-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

S634-1338

Molecular Formula

C20H28N4O3 (C20 H28 N4 O3)

Compound Name

2-{1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-1H-pyrrole-3-carboxamide

IUPAC name

2-{1-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-1H-pyrrole-3-carboxamide

SMILES

Cc1cc(C(N(CCC2)CC2c([nH]cc2)c2C(N)=O)=O)c(C)n1CCOC

InChI

InChI=1S/C20H28N4O3/c1-13-11-17(14(2)24(13)9-10-27-3)20(26)23-8-4-5-15(12-23)18-16(19(21)25)6-7-22-18/h6-7,11,15,22H,4-5,8-10,12H2,1-3H3,(H2,21,25)/t15-/m0/s1

InChI Key

FUFRCHVBIOCEDN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29016849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.972

Distribution Coefficient, logD

0.972

Water Solubility, LogSw

-2.09

Polar Surface Area

71.958

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S634-1338 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S634-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S634-1338?
Check Price and Availability of S634-1338, 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 S634-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S634-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S634-1338
  • 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 S634-1338 available by request