K783-6379 Screening compound: 5-benzyl-N-[(4-methoxyphenyl)methyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxamide

K783-6379 Screening compound: 5-benzyl-N-[(4-methoxyphenyl)methyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxamide
K783-6379 Screening compound: 5-benzyl-N-[(4-methoxyphenyl)methyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-6379
5-benzyl-N-[(4-methoxyphenyl)methyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-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

K783-6379

Molecular Formula

C22H22N2O2S (C22 H22 N2 O2 S)

Compound Name

5-benzyl-N-[(4-methoxyphenyl)methyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxamide

IUPAC name

5-benzyl-N-[(4-methoxyphenyl)methyl]-4H5H6H-thieno[23-c]pyrrole-2-carboxamide

SMILES

COc1ccc(CNC(c2cc(CN(Cc3ccccc3)C3)c3s2)=O)cc1

InChI

InChI=1S/C22H22N2O2S/c1-26-19-9-7-16(8-10-19)12-23-22(25)20-11-18-14-24(15-21(18)27-20)13-17-5-3-2-4-6-17/h2-11H,12-15H2,1H3,(H,23,25)

InChI Key

OZCHZMLBAZQQGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096389

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

378.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

1.336

Water Solubility, LogSw

-4.21

Polar Surface Area

36.908

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

K783-6379 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K783-6379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-6379?
Check Price and Availability of K783-6379, 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 K783-6379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-6379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-6379
  • 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 K783-6379 available by request