C795-0191 Screening compound: N-[(4-methylphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide

C795-0191 Screening compound: N-[(4-methylphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide
C795-0191 Screening compound: N-[(4-methylphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0191
N-[(4-methylphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-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

C795-0191

Molecular Formula

C17H16N2OS (C17 H16 N2 OS)

Compound Name

N-[(4-methylphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide

SMILES

Cc1ccc(CNC(c(scc2)c2-n2cccc2)=O)cc1

InChI

InChI=1S/C17H16N2OS/c1-13-4-6-14(7-5-13)12-18-17(20)16-15(8-11-21-16)19-9-2-3-10-19/h2-11H,12H2,1H3,(H,18,20)

InChI Key

RMKANCNWILVNFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10385410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

3.929

Water Solubility, LogSw

-3.91

Polar Surface Area

29.355

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C795-0191 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)

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with C795-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0191?
Check Price and Availability of C795-0191, 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 C795-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0191
  • 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 C795-0191 available by request