C779-1326 Screening compound: N-benzyl-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

C779-1326 Screening compound: N-benzyl-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide
C779-1326 Screening compound: N-benzyl-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1326
N-benzyl-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-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

C779-1326

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

N-benzyl-1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

IUPAC name

N-benzyl-1-{4-methyl-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

SMILES

Cn(c(C(N(CC1)CCC1C(NCc1ccccc1)=O)=O)c1)c2c1scc2

InChI

InChI=1S/C21H23N3O2S/c1-23-17-9-12-27-19(17)13-18(23)21(26)24-10-7-16(8-11-24)20(25)22-14-15-5-3-2-4-6-15/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3,(H,22,25)

InChI Key

MUASPWRMSOZIJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.438

Distribution Coefficient, logD

2.438

Water Solubility, LogSw

-2.84

Polar Surface Area

43.854

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C779-1326 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C779-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1326?
Check Price and Availability of C779-1326, 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 C779-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1326
  • 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 C779-1326 available by request