6114-0119 Screening compound: 3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

6114-0119 Screening compound: 3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
6114-0119 Screening compound: 3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6114-0119
3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-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

6114-0119

Molecular Formula

C22H18FN3OS (C22 H18 FN3 OS)

Compound Name

3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[23-b]pyridine-2-carboxamide

SMILES

Cc1ccc(CNC(c(sc2nc(-c(cc3)ccc3F)ccc22)c2N)=O)cc1

InChI

InChI=1S/C22H18FN3OS/c1-13-2-4-14(5-3-13)12-25-21(27)20-19(24)17-10-11-18(26-22(17)28-20)15-6-8-16(23)9-7-15/h2-11H,12,24H2,1H3,(H,25,27)

InChI Key

ROWGDOHNVBSFGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.293

Distribution Coefficient, logD

5.290

Water Solubility, LogSw

-5.43

Polar Surface Area

53.487

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

6114-0119 in Drug Discovery

Included in Screening Libraries

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

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6114-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6114-0119?
Check Price and Availability of 6114-0119, 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 6114-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6114-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6114-0119
  • 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 6114-0119 available by request