6114-0095 Screening compound: 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

6114-0095 Screening compound: 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
6114-0095 Screening compound: 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6114-0095
3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)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

6114-0095

Molecular Formula

C21H15F2N3OS (C21 H15 F2 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(c(sc1nc(-c(cc2)ccc2F)ccc11)c1N)=O)c1)c1F

InChI

InChI=1S/C21H15F2N3OS/c1-11-2-7-14(10-16(11)23)25-20(27)19-18(24)15-8-9-17(26-21(15)28-19)12-3-5-13(22)6-4-12/h2-10H,24H2,1H3,(H,25,27)

InChI Key

FYWTZCDSXKFMFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

5.722

Water Solubility, LogSw

-5.58

Polar Surface Area

52.165

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

6114-0095 in Drug Discovery

Included in Screening Libraries

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 6114-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6114-0095?
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What is the minimum amount of 6114-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6114-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6114-0095
  • 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 6114-0095 available by request