6114-0198 Screening compound: 2-(adamantane-1-carbonyl)-6-(pyridin-4-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

6114-0198 Screening compound: 2-(adamantane-1-carbonyl)-6-(pyridin-4-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
6114-0198 Screening compound: 2-(adamantane-1-carbonyl)-6-(pyridin-4-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6114-0198
2-(adamantane-1-carbonyl)-6-(pyridin-4-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

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

6114-0198

Molecular Formula

C24H22F3N3OS (C24 H22 F3 N3 OS)

Compound Name

2-(adamantane-1-carbonyl)-6-(pyridin-4-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

IUPAC name

2-(adamantane-1-carbonyl)-6-(pyridin-4-yl)-4-(trifluoromethyl)thieno[23-b]pyridin-3-amine

SMILES

Nc1c(C(C2(CC(C3)C4)CC4CC3C2)=O)sc2nc(-c3ccncc3)cc(C(F)(F)F)c12

InChI

InChI=1S/C24H22F3N3OS/c25-24(26,27)16-8-17(15-1-3-29-4-2-15)30-22-18(16)19(28)20(32-22)21(31)23-9-12-5-13(10-23)7-14(6-12)11-23/h1-4,8,12-14H,5-7,9-11,28H2

InChI Key

RTGKXNLIXHUOEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.805

Distribution Coefficient, logD

6.804

Water Solubility, LogSw

-6.23

Polar Surface Area

52.002

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

6114-0198 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6114-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6114-0198?
Check Price and Availability of 6114-0198, 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 6114-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6114-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6114-0198
  • 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 6114-0198 available by request