C779-1229 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

C779-1229 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide
C779-1229 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1229
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-{4-ethyl-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

C779-1229

Molecular Formula

C25H31N3O4S (C25 H31 N3 O4 S)

Compound Name

N-[2-(2,4-dimethoxyphenyl)ethyl]-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

IUPAC name

N-[2-(24-dimethoxyphenyl)ethyl]-1-{4-ethyl-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

SMILES

CCn(c(C(N(CC1)CCC1C(NCCc(ccc(OC)c1)c1OC)=O)=O)c1)c2c1scc2

InChI

InChI=1S/C25H31N3O4S/c1-4-28-20-10-14-33-23(20)16-21(28)25(30)27-12-8-18(9-13-27)24(29)26-11-7-17-5-6-19(31-2)15-22(17)32-3/h5-6,10,14-16,18H,4,7-9,11-13H2,1-3H3,(H,26,29)

InChI Key

CIDZCQKKXQIDTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

3.510

Water Solubility, LogSw

-3.65

Polar Surface Area

57.784

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C779-1229 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

CORONAVIRUS Library (20774 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C779-1229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1229?
Check Price and Availability of C779-1229, 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 C779-1229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1229
  • 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 C779-1229 available by request