C779-0230 Screening compound: (4-methyl-4H-thieno[3,2-b]pyrrol-5-yl){3-[(4-phenylpiperazino)carbonyl]piperidino}methanone

C779-0230 Screening compound: (4-methyl-4H-thieno[3,2-b]pyrrol-5-yl){3-[(4-phenylpiperazino)carbonyl]piperidino}methanone
C779-0230 Screening compound: (4-methyl-4H-thieno[3,2-b]pyrrol-5-yl){3-[(4-phenylpiperazino)carbonyl]piperidino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-0230
(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl){3-[(4-phenylpiperazino)carbonyl]piperidino}methanone

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

C779-0230

Molecular Formula

C24H28N4O2S (C24 H28 N4 O2 S)

Compound Name

(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl){3-[(4-phenylpiperazino)carbonyl]piperidino}methanone

IUPAC name

1-(1-{4-methyl-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-3-carbonyl)-4-phenylpiperazine

SMILES

Cn(c(C(N(CCC1)CC1C(N(CC1)CCN1c1ccccc1)=O)=O)c1)c2c1scc2

InChI

InChI=1S/C24H28N4O2S/c1-25-20-9-15-31-22(20)16-21(25)24(30)28-10-5-6-18(17-28)23(29)27-13-11-26(12-14-27)19-7-3-2-4-8-19/h2-4,7-9,15-16,18H,5-6,10-14,17H2,1H3/t18-/m0/s1

InChI Key

APVJXPNJEGKNKZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14793724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.23

Polar Surface Area

39.283

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

C779-0230 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C779-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-0230?
Check Price and Availability of C779-0230, 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 C779-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-0230
  • 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 C779-0230 available by request